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<front>
<journal-meta>
<journal-id journal-id-type="pmc">EE</journal-id>
<journal-id journal-id-type="nlm-ta">EE</journal-id>
<journal-id journal-id-type="publisher-id">EE</journal-id>
<journal-title-group>
<journal-title>Energy Engineering</journal-title>
</journal-title-group>
<issn pub-type="epub">1546-0118</issn>
<issn pub-type="ppub">0199-8595</issn>
<publisher>
<publisher-name>Tech Science Press</publisher-name>
<publisher-loc>USA</publisher-loc>
</publisher>
</journal-meta>
<article-meta>
<article-id pub-id-type="publisher-id">76328</article-id>
<article-id pub-id-type="doi">10.32604/ee.2026.076328</article-id>
<article-categories>
<subj-group subj-group-type="heading">
<subject>Article</subject>
</subj-group>
</article-categories>
<title-group>
<article-title>Data-Driven and Physics-Informed Surrogate Modeling for Heat Conduction in the Pressurizer Wall of Pressurized Water Reactors under Severe Accident Scenarios</article-title>
<alt-title alt-title-type="left-running-head">Data-Driven and Physics-Informed Surrogate Modeling for Heat Conduction in the Pressurizer Wall of Pressurized Water Reactors under Severe Accident Scenarios</alt-title>
<alt-title alt-title-type="right-running-head">Data-Driven and Physics-Informed Surrogate Modelling for Heat Conduction in the Pressurizer Wall of Pressurized Water Reactors under Severe Accident Scenarios</alt-title>
</title-group>
<contrib-group>
<contrib id="author-1" contrib-type="author">
<name name-style="western"><surname>Thulu</surname><given-names>Fabiano</given-names></name></contrib>
<contrib id="author-2" contrib-type="author" corresp="yes">
<name name-style="western"><surname>Wu</surname><given-names>Zeyun</given-names></name><email>zwu@vcu.edu</email></contrib>
<aff id="aff-1"><institution>Department of Mechanical and Nuclear Engineering, Virginia Commonwealth University</institution>, <addr-line>Richmond, VA</addr-line>, <country>USA</country></aff>
</contrib-group>
<author-notes>
<corresp id="cor1"><label>&#x002A;</label>Corresponding Author: Zeyun Wu. Email: <email>zwu@vcu.edu</email></corresp>
</author-notes>
<pub-date date-type="collection" publication-format="electronic">
<year>2026</year>
</pub-date>
<pub-date date-type="pub" publication-format="electronic">
<day>27</day><month>4</month><year>2026</year>
</pub-date>
<volume>123</volume>
<issue>5</issue>
<elocation-id>1</elocation-id>
<history>
<date date-type="received">
<day>18</day>
<month>11</month>
<year>2025</year>
</date>
<date date-type="accepted">
<day>22</day>
<month>1</month>
<year>2026</year>
</date>
</history>
<permissions>
<copyright-statement>&#x00A9; 2026 The Authors. Published by Tech Science Press.</copyright-statement>
<copyright-year>2026</copyright-year>
<copyright-holder>The Authors</copyright-holder>
<license xlink:href="https://creativecommons.org/licenses/by/4.0/">
<license-p>This work is licensed under a <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="https://creativecommons.org/licenses/by/4.0/">Creative Commons Attribution 4.0 International License</ext-link>, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.</license-p>
</license>
</permissions>
<self-uri content-type="pdf" xlink:href="TSP_EE_76328.pdf"></self-uri>
<abstract>
<p>Real-time prediction of temperature distribution in the pressurizer walls of Pressurized Water Reactors (PWRs) during severe accidents, such as Station Blackout (SBO) and Loss-of-Coolant Accident (LOCA) is vital for structural integrity assessment. However, conventional thermal-hydraulic simulations used for such predictions are computationally intensive, limiting their applicability for real-time analysis. This study develops and compares three surrogate models: Polynomial Regression, Deep Neural Network (DNN), and a Physics-Informed Neural Network (PINN). Thermal-hydraulic simulation data generated by RELAP5-3D are integrated with physics-constrained learning techniques to model transient heat conduction in the pressurizer wall. The internal wall temperature evolution is reconstructed using a one-dimensional transient heat conduction mode solved via the Finite Difference Method. The Polynomial Regression model, while achieving a relative high coefficient of determination (<inline-formula id="ieqn-1"><mml:math id="mml-ieqn-1"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup><mml:mo>=</mml:mo><mml:mn>0.9780</mml:mn></mml:math></inline-formula>), exhibited an average Root Mean Squared Error (RMSE) of 7.50 K and a Maximum Absolute Error (MaxAE) of 193.6 K on unseen test data, indicating limited capability in capturing localized thermal stresses. In contrast, the purely data-drive DNN model demonstrated superior performance, achieving an overall test <inline-formula id="ieqn-2"><mml:math id="mml-ieqn-2"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula> of 0.9996, an RMSE of 1.04 K, and a significantly reduced MaxAE of 24.8 K. Finally, the PINN model yielded an overall physics-based test <inline-formula id="ieqn-3"><mml:math id="mml-ieqn-3"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula> of 0.9874, with an RMSE of 5.66 K, and a MaxAE of 89.7 K. Although the DNN achieves the highest statistical accuracy, the PINN offers a key advantage by enforcing adherence to the governing heat conduction equations. The embedded physical consistency makes PINN a more reliable and trustworthy surrogate for nuclear safety analysis, where maintaining physical fidelity is as critical as numerical accuracy.</p>
</abstract>
<kwd-group kwd-group-type="author">
<kwd>Heat conduction</kwd>
<kwd>surrogate modeling</kwd>
<kwd>polynomial regression</kwd>
<kwd>deep neural networks</kwd>
<kwd>physics-informed neural networks</kwd>
</kwd-group>
<funding-group>
<award-group id="awg1">
<funding-source>U.S Department of Energy&#x2019;s Nuclear Energy University Program</funding-source>
<award-id>DE-NE-0009505</award-id>
</award-group>
</funding-group>
</article-meta>
</front>
<body>
<sec id="s1">
<label>1</label>
<title>Introduction</title>
<p>Pressurized Water Reactors (PWRs) have proven to be a cornerstone of global reliable and clean energy source [<xref ref-type="bibr" rid="ref-1">1</xref>]. Within a PWR, the pressurizer plays a critical role in maintaining primary coolant pressure and regulating volume changes induced by temperature fluctuations [<xref ref-type="bibr" rid="ref-2">2</xref>]. The dynamic thermal-hydraulic (T/H) behavior within the pressurizer involves complex multiphase and multiphysics phenomena, including heat transfer, phase change and fluid dynamics, which collectively regulate primary system pressure and mitigate phase instability. However, many currently operating Nuclear Power Plants (NPPs) face significant long-term operation challenges, largely due to the gradual degradation of systems, structures, and components over extended service lifetime [<xref ref-type="bibr" rid="ref-3">3</xref>]. This degradation, commonly referred to as &#x201C;aging&#x201D;, results in changes to material properties and introduces safety concerns that must be carefully addressed and managed [<xref ref-type="bibr" rid="ref-4">4</xref>].</p>
<p>Among the components most susceptible to aging in NPPs is the pressurizer [<xref ref-type="bibr" rid="ref-5">5</xref>]. Aging can significantly affect heat conduction within the pressurizer wall and internal structure, which in term directly influences pressure response time, thermal lag, and structural integrity under normal operation, transient conditions and accident scenarios. <xref ref-type="fig" rid="fig-1">Fig. 1</xref> illustrates the pressurizer and its associated primary systems in a standard triple-loop PWR configuration. The U.S. Nuclear Regulatory Commission (NRC) has documented numerous cases in which pressurizers experienced degradation or failures while reactors were operating at power. Notable examples include the Three Mile Island accident (1979), the Calvert Cliffs 2 leakage event (1989), leaks in pressurizer instrument nozzles (1990), cracking in Bugey Unit 3 (1991), cracking events at South Texas and Palo Verde Unit 3 (2003, 2013), pressurizer heater sleeve degradation (2020), pressurizer nozzle weld flaws (2008), and a standby pressurizer heater malfunction at Oconee Station Unit 1 (2024), among others.</p>
<fig id="fig-1">
<label>Figure 1</label>
<caption>
<title>Primary Systems of a triple-loop PWR (left) and the Pressurizer (right).</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-1.tif"/>
</fig>
<p>Accurate and rapid prediction of pressurizer wall temperatures during severe accident scenarios is essential for assessing structural integrity. Such capability can help prevent thermal fatigue and support real-time operational decision-making, and may also inform design improvements and optimization for the next-generation reactor systems. While the T/H literature widely recognizes the importance of modelling thermal effects in reactor components such as pipes and walls, most recent studies have primarily focused on system-level dynamics. Moreover, prior studies indicate that accurately modeling heat conduction in the pressurizer remains challenging due to the high computational cost of detailed calculations [<xref ref-type="bibr" rid="ref-6">6</xref>,<xref ref-type="bibr" rid="ref-7">7</xref>]. This knowledge gap significantly limits the understanding of pressurizer pressure response, thermal lag, and the structural integrity under transient and accident conditions [<xref ref-type="bibr" rid="ref-8">8</xref>].</p>
<p>While system codes such as RELAP5-3D provide high reliable predictions, their substantial computational cost makes them unsuitable for real-time operator support and digital twin integration during rapid evolving transients [<xref ref-type="bibr" rid="ref-9">9</xref>,<xref ref-type="bibr" rid="ref-10">10</xref>]. In such high-stakes environments, the ability to predict thermal gradients within seconds is critical for assessing structural integrity and preventing component failure. To address this limitation, surrogate modeling approaches have been explored, demonstrating significant potential for drastically reducing computational time while retaining acceptable accuracy.</p>
<p>Surrogate models have emerged as a powerful alternative to conventional simulations in NPPs. These models offer computationally efficient calculations, enabling faster analysis and more timely decision-making. For example, Convolution Neural Networks (CNNs) have been successfully applied for nuclear fuel behavior analysis, significantly reducing simulation time for predicting quantities such as displacement, von Mises stress, and creeping strain [<xref ref-type="bibr" rid="ref-11">11</xref>]. Reduced Oder Models (ROMs) have also demonstrated substantial efficiency gain, decreasing simulation runtimes from days to hours. However, while traditional data-driven models offers significant speed advantages, they may produce results that are numerically accurate yet physically inconsistent, potentially violating fundamental physics principles. For example, Inverse Heat Conduction Problems (IHCPs) have been used in nuclear piping systems to estimate inaccessible internal temperatures and heat fluxes from external measurements [<xref ref-type="bibr" rid="ref-12">12</xref>]. Nevertheless, IHCP-based approaches are well known to be highly sensitive to measurement noise and uncertainties, which can lead to numerical instabilities and non-physical predictions [<xref ref-type="bibr" rid="ref-6">6</xref>]. Collectively, these studies practically highlight the practical need for reliable indirect temperature determination method in high-pressure and high-temperature environments where direct measurements are difficult or infeasible.</p>
<p>To address the black-box nature commonly associated with the Deep Neural Network (DNN), this study bridges this gap by implementing a Physics-Informed Neural Network (PINN) that explicitly embeds the governing heat conduction equation as shown in <xref ref-type="disp-formula" rid="eqn-1">Eq. (1)</xref>, which is directly integrated in the neural network loss function.
<disp-formula id="eqn-1"><label>(1)</label><mml:math id="mml-eqn-1" display="block"><mml:mi>&#x03C1;</mml:mi><mml:msub><mml:mi>c</mml:mi><mml:mrow><mml:mi>p</mml:mi></mml:mrow></mml:msub><mml:mfrac><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>T</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>t</mml:mi></mml:mrow></mml:mfrac><mml:mo>=</mml:mo><mml:mi mathvariant="normal">&#x2207;</mml:mi><mml:mo>&#x22C5;</mml:mo><mml:mrow><mml:mo>(</mml:mo><mml:mi>k</mml:mi><mml:mi mathvariant="normal">&#x2207;</mml:mi><mml:mi>T</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></disp-formula></p>
<p>This formulation ensures that the surrogate model remains anchored to physical laws, even under extreme transient temperature fluctuations. In this work, we focused on modelling pressurizer temperature profiles during Station Blackout (SBO), Loss-of-Coolant Accident (LOCA) and combined SBO-LOCA scenarios, which represents some of the most challenging and safety-critical accident conditions in NPPs. Prior studies have documented that such transients impose significant thermal and structural challenges on pressurizers [<xref ref-type="bibr" rid="ref-4">4</xref>].</p>
<p>In the present work, a comparative study is conducted among Polynomial Regression, DNN and PINN models. All models are trained and validated using RELAP5-3D data generated from three accident scenarios: SBO, LOCA, and SBO&#x002B;LOCA conditions. The initial selection of Polynomial Regression as a baseline model was motivated by several factors. It is relative straightforward to understand and implement, and its coefficients can provide limited interpretability regarding the relationship between input variables (time, radial position, boundary temperature) and output variable (temperature). In addition, once trained, Polynomial Regression models offer very fast predictions [<xref ref-type="bibr" rid="ref-13">13</xref>]. A third-order polynomial was selected as it can capture a reasonable level of nonlinearity, making it a suitable baseline for assessing how a simple surrogate model approximates complex thermal behavior before introducing more advanced approaches. However, prior studies have reported that Polynomial Regression models are prone to over fitting &#x2013;particularly at higher polynomial degree&#x2014;and may exhibit unreliable extrapolation behavior [<xref ref-type="bibr" rid="ref-14">14</xref>].</p>
<p>The DNN surrogate models were considered as the second modeling approach in this study. DNNs, which are purely Data-Driven (DD) Neural Networks (NN), have been previously applied in PWR safety analysis. For example, Radaideh reported that DNN provided accurate forecasts of peak clad temperature and reactor core pressures during the LOCA scenarios [<xref ref-type="bibr" rid="ref-15">15</xref>]. Despite their strong predictive capability, DNN typically require a large amounts of high-fidelity training data and may struggle to generalize to previously unseen conditions or to consistently enforce physical constraints. For these reasons, the PINN were investigated as the third surrogate modeling approaches in this study, with the aim of improving physical consistency and robustness under transient accident conditions.</p>
<p>The PINN surrogate models directly incorporate the governing heat conduction Partial Differential Equations (PDE) into their loss function during training. This formulation ensures the surrogate models not only learn from the fed data but are also constrained by the fundamental laws of heat transfer. As a result, PINN promote improved physical consistency and enhanced generalization, particularly in regions with sparse data or under extrapolative conditions. In this study, a PINN model trained on comprehensive temperature profiles spanning from the inner to outer pressurizer wall is expected to exhibit greater robustness and to accurately predict temperatures at arbitrary radial locations for given times and boundary conditions. This work also builds upon our previous research on PINN-based reactor analysis, extending those efforts toward more robust, data-efficient, and physically consistent surrogate modeling frameworks [<xref ref-type="bibr" rid="ref-16">16</xref>].</p>
<p>The training and testing temperature datasets were generated using Reactor Excursion and Leak Analysis Program (RELAP), a well-established system code for T/H transient analysis in PWRs. The pressurizer inner wall temperature data used for surrogate model training were obtained from a one-dimensional (1D) transient heat conduction calculation solved using Finite Difference Method (FDM). Specifically, a Forward Time Central Space (FTCS) methods was employed. This multi-fidelity modeling approach ensures that the surrogate models are trained on physically realistic and high-quality data, thereby improving prediction accuracy and robustness.</p>
<p>The remainder of this paper is structured as follows. <xref ref-type="sec" rid="s2">Section 2</xref> describes the methodology for primary data generation and the formulation and numerical solution of the transient heat conduction problem using FDM. It also presents the mathematical formulations and training strategies employed for the surrogate models. <xref ref-type="sec" rid="s3">Section 3</xref> provides a comprehensive validation and comparative performance analysis of the surrogate model, including quantitative evaluation metrics and qualitative visualizations. Finally, <xref ref-type="sec" rid="s4">Section 4</xref> summarizes the key findings, discusses the implications of the results, and offers recommendations for future research.</p>
</sec>
<sec id="s2">
<label>2</label>
<title>Methodology</title>
<p>This work uses a multi-step methodology to develop, train, and validate Polynomial Regression, DNN and PINN surrogate models for predicting time-dependent heat conduction in pressurizer wall. The first step was to run three accident cases (SBO, LOCA and SBO&#x002B;LOCA) with RELAP5-3D. This generated the inner and outer temperatures of the pressurizer wall faces. Second step involved constructing temperature profiles within the pressurizer wall (thickness). Third step focused on constructing, training and testing of the surrogate models. Comprehensive comparative analysis of the surrogate model performances was performed in the last step.</p>
<sec id="s2_1">
<label>2.1</label>
<title>Postulated Accident Scenarios and Data Generation</title>
<p>Three postulated accident scenarios are selected as case studies as well as for the data generation. SBO represents a complete loss of all Alternating Current (AC) electrical power in the NPPs. This leads to the unavailability of major active safety systems, except for battery supplied components. It is regarded as one of the classical high-pressure accident scenarios, that challenges the NPPs ability to remove decay heat passively [<xref ref-type="bibr" rid="ref-17">17</xref>]. Fukushima Daiichi nuclear accident set as a typical example of a SBO, where all the power to safely operate the reactor went off. On the other hand, LOCA involves a breach in the primary coolant boundary. This results into a rapid drop in reactor system pressure, a decrease in water level as the coolant gushes out through the break. As the coolant is released into the containment, it might lead to a rise temperature and pressure in the pressurizer shell. It is one of the common reported accidents in NPPs, especially, small break loss of coolants (SB-LOCA) [<xref ref-type="bibr" rid="ref-18">18</xref>]. A combined scenario of SBO and LOCA represents a highly severe and challenging transient, integrating the complexities of both a complete loss of AC power and a primary coolant breach in the reactor [<xref ref-type="bibr" rid="ref-19">19</xref>].</p>
<p>The time-dependent inner and outer surface temperature boundary conditions for the pressurizer wall, were obtained from T/H simulations using RELAP5-3D code. RELAP5-3D is a widely recognized and validated high level system code, used in nuclear accident analysis to simulate the overall T/H behavior of reactor systems during accidents, transients and normal states in PWRs [<xref ref-type="bibr" rid="ref-20">20</xref>,<xref ref-type="bibr" rid="ref-21">21</xref>]. The use of RELAP5-3D ensured that the boundary conditions driving the heat conduction in the pressurizer wall, are physically realistic and a good representative of actual PWR during SBO and LOCA scenarios. This approach provides physics based synthetic data, which is crucial for safety analysis, as it ensures high fidelity [<xref ref-type="bibr" rid="ref-22">22</xref>].</p>
</sec>
<sec id="s2_2">
<label>2.2</label>
<title>Transient Heat Conduction Problem in Pressurizer</title>
<p>The pressurizer wall consists of two layers, internal cladding (composed of austenitic stainless steel (type 308L)) and main wall (comprised of low-alloy tough carbon steel (type A 516 Mn-Mo steel)). The thermal properties for pressurizer wall (assumed constant) are shown in <xref ref-type="table" rid="table-1">Table 1</xref>. <xref ref-type="fig" rid="fig-2">Fig. 2</xref> shows a reconstructed cross section view of the Pressurizer (not drawn to scale).</p>
<table-wrap id="table-1">
<label>Table 1</label>
<caption>
<title>Thermal properties of materials [<xref ref-type="bibr" rid="ref-23">23</xref>].</title>
</caption>
<table>
<colgroup>
<col align="center"/>
<col align="center"/>
<col align="center"/>
<col align="center"/>
</colgroup>
<thead>
<tr>
<th>Property</th>
<th>Type A 516 Mn-Mo Steel (main wall)</th>
<th>Type 308L Stainless Steel (Clad)</th>
<th>Unit</th>
</tr>
</thead>
<tbody>
<tr>
<td>Density (<inline-formula id="ieqn-4"><mml:math id="mml-ieqn-4"><mml:mi mathvariant="bold-italic">&#x03C1;</mml:mi></mml:math></inline-formula>)</td>
<td>7850</td>
<td>8000</td>
<td>Kg/m<sup>3</sup></td>
</tr>
<tr>
<td>Specific Heat (<inline-formula id="ieqn-5"><mml:math id="mml-ieqn-5"><mml:msub><mml:mi mathvariant="bold-italic">c</mml:mi><mml:mrow><mml:mi mathvariant="bold-italic">p</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>)</td>
<td>500</td>
<td>500</td>
<td>J/Kg&#x2219;K</td>
</tr>
<tr>
<td>Thermal Conductivity (<inline-formula id="ieqn-6"><mml:math id="mml-ieqn-6"><mml:mi mathvariant="bold-italic">k</mml:mi></mml:math></inline-formula>)</td>
<td>33.3</td>
<td>16.2</td>
<td>W/m&#x2219;K</td>
</tr>
</tbody>
</table>
</table-wrap><fig id="fig-2">
<label>Figure 2</label>
<caption>
<title>Reconstructed cross-section view of the Pressurizer.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-2.tif"/>
</fig>
<p>In RELAP simulations, the inner boundary temperature was determined by primary coolant T/H, while the outer boundary temperature resulted from transient conduction through the pressurizer wall. These time dependent wall temperature histories were extracted from RELAP5-3D and applied as Dirichlet boundary conditions in the finite difference and surrogate models.</p>
<sec id="s2_2_1">
<label>2.2.1</label>
<title>Mathematical Model</title>
<p>The temperature distribution <inline-formula id="ieqn-7"><mml:math id="mml-ieqn-7"><mml:mi>T</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> across the thickness of the pressurizer wall is governed by the 1D transient heat conduction equation in cylindrical coordinates. The general form of this equation is
<disp-formula id="eqn-2"><label>(2)</label><mml:math id="mml-eqn-2" display="block"><mml:mrow><mml:mi mathvariant="normal">&#x03C1;</mml:mi></mml:mrow><mml:msub><mml:mi>c</mml:mi><mml:mrow><mml:mi>p</mml:mi></mml:mrow></mml:msub><mml:mfrac><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>T</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>t</mml:mi></mml:mrow></mml:mfrac><mml:mo>=</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mi>r</mml:mi></mml:mfrac><mml:mfrac><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:mfrac><mml:mrow><mml:mo>(</mml:mo><mml:mi>k</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>r</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mi>r</mml:mi><mml:mfrac><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>T</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:mfrac><mml:mo>)</mml:mo></mml:mrow><mml:mo>,</mml:mo><mml:mi>r</mml:mi><mml:mo>&#x2208;</mml:mo><mml:mrow><mml:mo>[</mml:mo><mml:msub><mml:mi>r</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi></mml:mrow></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>r</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi></mml:mrow></mml:msub><mml:mo>]</mml:mo></mml:mrow><mml:mi>t</mml:mi><mml:mo>&#x003E;</mml:mo><mml:mn>0</mml:mn></mml:math></disp-formula>where <inline-formula id="ieqn-8"><mml:math id="mml-ieqn-8"><mml:mi>T</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> is the temperature as a function of radius <inline-formula id="ieqn-9"><mml:math id="mml-ieqn-9"><mml:mi>r</mml:mi></mml:math></inline-formula> and time <inline-formula id="ieqn-10"><mml:math id="mml-ieqn-10"><mml:mi>t</mml:mi></mml:math></inline-formula>. <inline-formula id="ieqn-11"><mml:math id="mml-ieqn-11"><mml:mi>k</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>r</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> is a piecewise constant function representing the thermal-conductivity of stainless-steel cladding and the carbon-steel base metal. The PINN is designed to minimize the residual of this equation, denoted as <inline-formula id="ieqn-12"><mml:math id="mml-ieqn-12"><mml:mi>f</mml:mi><mml:mo stretchy="false">(</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi><mml:mo stretchy="false">)</mml:mo></mml:math></inline-formula>. The system is subject to the following conditions derived from the RELAP5-3D transient data:</p>
<p>(1) Initial condition
<disp-formula id="ueqn-3"><mml:math id="mml-ueqn-3" display="block"><mml:mi>T</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mn>0</mml:mn><mml:mo>)</mml:mo></mml:mrow><mml:mo>=</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>s</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>a</mml:mi><mml:mi>d</mml:mi><mml:mi>y</mml:mi></mml:mrow></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>r</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></disp-formula></p>
<p>(2) Inner wall boundary condition (fluid-side)
<disp-formula id="ueqn-4"><mml:math id="mml-ueqn-4" display="block"><mml:mo>&#x2212;</mml:mo><mml:mi>k</mml:mi><mml:msub><mml:mrow><mml:mo fence="true" stretchy="true" symmetric="true"></mml:mo><mml:mfrac><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>T</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:mfrac><mml:mo>|</mml:mo></mml:mrow><mml:mrow><mml:mi>r</mml:mi><mml:mo>=</mml:mo><mml:mrow><mml:msub><mml:mi>r</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:mrow></mml:msub><mml:mo>=</mml:mo><mml:msub><mml:mi>h</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi></mml:mrow></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>t</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>[</mml:mo><mml:mi>T</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi>r</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mo>,</mml:mo></mml:mrow></mml:msub><mml:mi>t</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo>&#x2212;</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>f</mml:mi><mml:mi>l</mml:mi><mml:mi>u</mml:mi><mml:mi>i</mml:mi><mml:mi>d</mml:mi></mml:mrow></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>t</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo>]</mml:mo></mml:mrow></mml:math></disp-formula></p>
<p>(3) Outer wall boundary condition (containment-side)
<disp-formula id="ueqn-5"><mml:math id="mml-ueqn-5" display="block"><mml:msub><mml:mrow><mml:mo fence="true" stretchy="true" symmetric="true"></mml:mo><mml:mfrac><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>T</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:mfrac><mml:mo>|</mml:mo></mml:mrow><mml:mrow><mml:mi>r</mml:mi><mml:mo>=</mml:mo><mml:mrow><mml:msub><mml:mi>r</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:mrow></mml:msub><mml:mo>=</mml:mo><mml:msup><mml:mn>0</mml:mn><mml:mrow><mml:mo>&#x2033;</mml:mo></mml:mrow></mml:msup></mml:math></disp-formula></p>
</sec>
<sec id="s2_2_2">
<label>2.2.2</label>
<title>Numerical Solution Based on Finite Different Method (FDM)</title>
<p>The 1D transient heat conduction equation was solved using Forward Time Central Space (FTCS) explicit finite difference scheme. The wall thickness was spatially discretized into number of radial nodes (<inline-formula id="ieqn-13"><mml:math id="mml-ieqn-13"><mml:mrow><mml:mi mathvariant="normal">&#x0394;</mml:mi></mml:mrow><mml:mi>r</mml:mi></mml:math></inline-formula>). The time domain was discretized into small time steps (<inline-formula id="ieqn-14"><mml:math id="mml-ieqn-14"><mml:mrow><mml:mi mathvariant="normal">&#x0394;</mml:mi></mml:mrow><mml:mi>t</mml:mi></mml:math></inline-formula>). The FTCS scheme was formulated for interior node <inline-formula id="ieqn-15"><mml:math id="mml-ieqn-15"><mml:mi>i</mml:mi></mml:math></inline-formula> at radial position <inline-formula id="ieqn-16"><mml:math id="mml-ieqn-16"><mml:msub><mml:mi>r</mml:mi><mml:mrow><mml:mi>i</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>. At the interface between the two materials, heat flux conservation was applied using a harmonic mean for thermal conductivity to ensure accuracy across the boundary.</p>
</sec>
<sec id="s2_2_3">
<label>2.2.3</label>
<title>Wall Temperature Profile Generation and Data Extraction</title>
<p>The FDM model was run for each of the three defined accident cases (SBO, LOCA, SBO&#x002B;LOCA). For each case, the calculations generated a compressive transient temperature profile <inline-formula id="ieqn-17"><mml:math id="mml-ieqn-17"><mml:mi>T</mml:mi><mml:mo stretchy="false">(</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi><mml:mo stretchy="false">)</mml:mo></mml:math></inline-formula> across the entire wall thickness (1.025&#x2013;1.175 m) over the specified accident duration. The spatial discretization employed 100 radial nodes across the wall thickness, with a time step of 1 s. The generated time-dependent temperature profiles (middle and intermediate radial positions) along with the corresponding time and radial position temperature data, was organized into a structured format suitable for training of surrogate models.</p>
</sec>
</sec>
<sec id="s2_3">
<label>2.3</label>
<title>Sampling Techniques</title>
<p>Advanced Design of Experiments (DoE) technique was used to ensure a comprehensive and efficient dataset for surrogate model training. DoE plays a critical role in economically constructing surrogate models with a minimum number of numerical simulations. Latin Hypercube Sampling (LHS) was used to generate a well distributed set of input parameters. This technique divides each input variable&#x2019;s range into equally probable intervals, sampling one value from each interval. It helps to ensure a comprehensive coverage of the multidimensional input space. The stratified sampling approach is good for capturing nonlinear relationships, and enhancing efficiency in high dimensional spaces. Lastly, Sobol sampling was used as it offers a more evenly distributed sample set than independent and identically distributed uniform samples. This systematic approach ensures that even with a finite number of simulations, the surrogate models are exposed to the most critical thermal gradients and boundary condition variations, minimizing data gaps in the training process.</p>
</sec>
<sec id="s2_4">
<label>2.4</label>
<title>Surrogate Models</title>
<sec id="s2_4_1">
<label>2.4.1</label>
<title>Polynomial Regression Surrogate Model</title>
<p>A Polynomial Regression surrogate model of a third-order degree was constructed based on a general form shown in <xref ref-type="disp-formula" rid="eqn-3">Eq. (3)</xref>. The model was designed to establish a baseline for comparison, allowing a clear assessment of the benefit of more, physic-informed approaches. The model was implemented using a standard least-squares approach. The input features (time and boundary temperatures) were standardized to a zero mean and unit variance to improve numerical stability. The general form of the Polynomial Regression model was
<disp-formula id="eqn-3"><label>(3)</label><mml:math id="mml-eqn-3" display="block"><mml:mi>T</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>t</mml:mi><mml:mo>,</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mrow><mml:mtext>t</mml:mtext></mml:mrow><mml:mo stretchy="false">)</mml:mo><mml:mrow><mml:mtext>&#xA0;and&#xA0;</mml:mtext></mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mrow><mml:mtext>t</mml:mtext></mml:mrow><mml:mo stretchy="false">)</mml:mo><mml:mo>)</mml:mo></mml:mrow><mml:mo>=</mml:mo><mml:munderover><mml:mo>&#x2211;</mml:mo><mml:mrow><mml:mi>i</mml:mi><mml:mo>=</mml:mo><mml:mn>0</mml:mn></mml:mrow><mml:mrow><mml:msub><mml:mi>N</mml:mi><mml:mrow><mml:mi>t</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:munderover><mml:munderover><mml:mo>&#x2211;</mml:mo><mml:mrow><mml:mi>j</mml:mi><mml:mo>=</mml:mo><mml:mn>0</mml:mn></mml:mrow><mml:mrow><mml:msub><mml:mi>N</mml:mi><mml:mrow><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:munderover><mml:munderover><mml:mo>&#x2211;</mml:mo><mml:mrow><mml:mi>k</mml:mi><mml:mo>=</mml:mo><mml:mn>0</mml:mn></mml:mrow><mml:mrow><mml:msub><mml:mi>N</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:munderover><mml:munderover><mml:mo>&#x2211;</mml:mo><mml:mrow><mml:mi>l</mml:mi><mml:mo>=</mml:mo><mml:mn>0</mml:mn></mml:mrow><mml:mrow><mml:msub><mml:mi>N</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:munderover><mml:msub><mml:mi>&#x03B2;</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>j</mml:mi><mml:mi>k</mml:mi><mml:mi>l</mml:mi></mml:mrow></mml:msub><mml:msup><mml:mi>t</mml:mi><mml:mrow><mml:mi>i</mml:mi></mml:mrow></mml:msup><mml:msup><mml:mi>r</mml:mi><mml:mrow><mml:mi>j</mml:mi></mml:mrow></mml:msup><mml:mrow><mml:mo>[</mml:mo><mml:mrow><mml:msup><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mtext>t</mml:mtext></mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mi>k</mml:mi></mml:mrow></mml:msup></mml:mrow><mml:msup><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mtext>t</mml:mtext></mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mi>l</mml:mi></mml:mrow></mml:msup><mml:mo>]</mml:mo></mml:mrow></mml:math></disp-formula>where <inline-formula id="ieqn-18"><mml:math id="mml-ieqn-18"><mml:mi>T</mml:mi></mml:math></inline-formula> is the predicted temperature, <inline-formula id="ieqn-19"><mml:math id="mml-ieqn-19"><mml:mi>t</mml:mi></mml:math></inline-formula> is the time, <inline-formula id="ieqn-20"><mml:math id="mml-ieqn-20"><mml:mi>r</mml:mi></mml:math></inline-formula> is the radial position, <inline-formula id="ieqn-21"><mml:math id="mml-ieqn-21"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mrow><mml:mtext>t</mml:mtext></mml:mrow><mml:mo stretchy="false">)</mml:mo></mml:math></inline-formula> and <inline-formula id="ieqn-22"><mml:math id="mml-ieqn-22"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub><mml:mo stretchy="false">(</mml:mo><mml:mrow><mml:mtext>t</mml:mtext></mml:mrow><mml:mo stretchy="false">)</mml:mo></mml:math></inline-formula> are the time dependent boundary temperatures, <inline-formula id="ieqn-23"><mml:math id="mml-ieqn-23"><mml:msub><mml:mi>&#x03B2;</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>j</mml:mi><mml:mi>k</mml:mi><mml:mi>l</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> are the coefficients, and <inline-formula id="ieqn-24"><mml:math id="mml-ieqn-24"><mml:msub><mml:mi>N</mml:mi><mml:mrow><mml:mi>t</mml:mi></mml:mrow></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>N</mml:mi><mml:mrow><mml:mi>r</mml:mi></mml:mrow></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>N</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi></mml:mrow></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>N</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> are the maximum polynomial degrees for each input variable.</p>
</sec>
<sec id="s2_4_2">
<label>2.4.2</label>
<title>DNN Surrogate Model</title>
<p>A supervised DNN was developed to serve as a purely data-driven surrogate model. The DNN consisted of multiple fully connected (dense) hidden layers with a Rectified Linear Unit (ReLU) activation function for nonlinearity. The feedforward DNN architecture of <inline-formula id="ieqn-25"><mml:math id="mml-ieqn-25"><mml:mrow><mml:mover><mml:mi>T</mml:mi><mml:mo stretchy="false">&#x005E;</mml:mo></mml:mover></mml:mrow><mml:mo>=</mml:mo><mml:mrow><mml:mi>&#x1D4A9;</mml:mi></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi><mml:mo>;</mml:mo><mml:mi>&#x03B8;</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>, where <inline-formula id="ieqn-26"><mml:math id="mml-ieqn-26"><mml:mi>&#x03B8;</mml:mi></mml:math></inline-formula> represents the optimized weights and biases. This was implemented using TensorFlow/Kares. The input features consisted of: time elapsed during the accident scenario, radial position within the pressurizer wall, and temperature at both inner and outer surface of the pressurizer (boundary conditions). The output layer consisted of a single neuron with a linear activation function, corresponding to predicted temperature (<inline-formula id="ieqn-27"><mml:math id="mml-ieqn-27"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>p</mml:mi><mml:mi>r</mml:mi><mml:mi>e</mml:mi><mml:mi>d</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>). The model&#x2019;s performance was optimized by minimizing the MSE loss function as shown in <xref ref-type="disp-formula" rid="eqn-4">Eq. (4)</xref>
<disp-formula id="eqn-4"><label>(4)</label><mml:math id="mml-eqn-4" display="block"><mml:msub><mml:mi>L</mml:mi><mml:mrow><mml:mi>M</mml:mi><mml:mi>S</mml:mi><mml:mi>E</mml:mi></mml:mrow></mml:msub><mml:mo>=</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mi>N</mml:mi></mml:mfrac><mml:msubsup><mml:mo movablelimits="false">&#x2211;</mml:mo><mml:mrow><mml:mi>i</mml:mi><mml:mo>=</mml:mo><mml:mn>1</mml:mn></mml:mrow><mml:mrow><mml:mi>N</mml:mi></mml:mrow></mml:msubsup><mml:mrow><mml:mo>(</mml:mo><mml:msup><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mrow><mml:mover><mml:mi>T</mml:mi><mml:mo>&#x02D9;</mml:mo></mml:mover></mml:mrow><mml:mrow><mml:mi>p</mml:mi><mml:mi>r</mml:mi><mml:mi>e</mml:mi><mml:mi>d</mml:mi><mml:mo>,</mml:mo><mml:mi>i</mml:mi></mml:mrow></mml:msub><mml:mo>&#x2212;</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>R</mml:mi><mml:mi>E</mml:mi><mml:mi>L</mml:mi><mml:mi>A</mml:mi><mml:mi>P</mml:mi><mml:mo>,</mml:mo><mml:mi>i</mml:mi></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup><mml:mo>)</mml:mo></mml:mrow></mml:math></disp-formula>where <inline-formula id="ieqn-28"><mml:math id="mml-ieqn-28"><mml:msub><mml:mrow><mml:mover><mml:mi>T</mml:mi><mml:mo>&#x02D9;</mml:mo></mml:mover></mml:mrow><mml:mrow><mml:mi>p</mml:mi><mml:mi>r</mml:mi><mml:mi>e</mml:mi><mml:mi>d</mml:mi><mml:mo>,</mml:mo><mml:mi>i</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> is the predicted wall temperature for the data point, and <inline-formula id="ieqn-29"><mml:math id="mml-ieqn-29"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>R</mml:mi><mml:mi>E</mml:mi><mml:mi>L</mml:mi><mml:mi>A</mml:mi><mml:mi>P</mml:mi><mml:mo>,</mml:mo><mml:mi>i</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> is the corresponding value yielded from the RELAP and FDM simulations. Adam optimizer was used to minimize the loss, with Mean Absolute Error (MAE), Maximum Absolute Error (MaxAE) and Normalized MAE (NMAE) also monitored as additional evaluation metrics.</p>
</sec>
<sec id="s2_4_3">
<label>2.4.3</label>
<title>PINN Surrogate Model</title>
<p>The PINN incorporated this physical law into its training through a physical loss term (<inline-formula id="ieqn-30"><mml:math id="mml-ieqn-30"><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>p</mml:mi><mml:mi>h</mml:mi><mml:mi>y</mml:mi><mml:mi>s</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>) which is derived from the residual of the governing equation. The PINN model&#x2019;s NN predicts the temperature, <inline-formula id="ieqn-31"><mml:math id="mml-ieqn-31"><mml:mrow><mml:mover><mml:mi>T</mml:mi><mml:mo stretchy="false">&#x005E;</mml:mo></mml:mover></mml:mrow><mml:mo stretchy="false">(</mml:mo><mml:mi>t</mml:mi><mml:mo>,</mml:mo><mml:mi>r</mml:mi><mml:mo stretchy="false">)</mml:mo></mml:math></inline-formula>. Its partial derivatives with respect to time and radial position were computed using automatic differentiation, a feature of the Tensor Flow framework. The PINN minimises a loss function that includes the physics residual <inline-formula id="ieqn-32"><mml:math id="mml-ieqn-32"><mml:mrow><mml:mi>&#x211B;</mml:mi></mml:mrow><mml:mo stretchy="false">(</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi><mml:mo stretchy="false">)</mml:mo></mml:math></inline-formula> as shown in <xref ref-type="disp-formula" rid="eqn-5">Eq. (5)</xref><disp-formula id="eqn-5"><label>(5)</label><mml:math id="mml-eqn-5" display="block"><mml:mrow><mml:mi>&#x211B;</mml:mi></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo>=</mml:mo><mml:mi>&#x03C1;</mml:mi><mml:msub><mml:mi>c</mml:mi><mml:mrow><mml:mi>p</mml:mi></mml:mrow></mml:msub><mml:mfrac><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mrow><mml:mover><mml:mi>T</mml:mi><mml:mo stretchy="false">&#x005E;</mml:mo></mml:mover></mml:mrow></mml:mrow><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>t</mml:mi></mml:mrow></mml:mfrac><mml:mo>&#x2212;</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mi>r</mml:mi></mml:mfrac><mml:mfrac><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:mfrac><mml:mrow><mml:mo>(</mml:mo><mml:mi>k</mml:mi><mml:mi>r</mml:mi><mml:mfrac><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mrow><mml:mover><mml:mi>T</mml:mi><mml:mo stretchy="false">&#x005E;</mml:mo></mml:mover></mml:mrow></mml:mrow><mml:mrow><mml:mi mathvariant="normal">&#x2202;</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:mfrac><mml:mo>)</mml:mo></mml:mrow></mml:math></disp-formula></p>
<p>The optimization objective is defined as the weighted sum of squares as shown in <xref ref-type="disp-formula" rid="eqn-6">Eq. (6)</xref>
<disp-formula id="eqn-6"><label>(6)</label><mml:math id="mml-eqn-6" display="block"><mml:mo movablelimits="true" form="prefix">min</mml:mo><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>0</mml:mn><mml:mo>)</mml:mo></mml:mrow><mml:mo>=</mml:mo><mml:msub><mml:mi>&#x03BB;</mml:mi><mml:mrow><mml:mi>d</mml:mi><mml:mi>a</mml:mi><mml:mi>t</mml:mi><mml:mi>a</mml:mi></mml:mrow></mml:msub><mml:mi>M</mml:mi><mml:mi>S</mml:mi><mml:msub><mml:mi>E</mml:mi><mml:mrow><mml:mi>d</mml:mi><mml:mi>a</mml:mi><mml:mi>t</mml:mi><mml:mi>a</mml:mi></mml:mrow></mml:msub><mml:mo>+</mml:mo><mml:msub><mml:mi>&#x03BB;</mml:mi><mml:mrow><mml:mi>p</mml:mi><mml:mi>h</mml:mi><mml:mi>y</mml:mi><mml:mi>s</mml:mi></mml:mrow></mml:msub><mml:mi>M</mml:mi><mml:mi>S</mml:mi><mml:msub><mml:mi>E</mml:mi><mml:mrow><mml:mrow><mml:mi>&#x211B;</mml:mi></mml:mrow></mml:mrow></mml:msub><mml:mo>+</mml:mo><mml:msub><mml:mi>&#x03BB;</mml:mi><mml:mrow><mml:mi>b</mml:mi><mml:mi>c</mml:mi></mml:mrow></mml:msub><mml:mi>M</mml:mi><mml:mi>S</mml:mi><mml:msub><mml:mi>E</mml:mi><mml:mrow><mml:mi>b</mml:mi><mml:mi>c</mml:mi></mml:mrow></mml:msub></mml:math></disp-formula></p>
<p>To train the PINN, the physical laws and data constraints are unified into a single composite loss function. The total loss, <inline-formula id="ieqn-33"><mml:math id="mml-ieqn-33"><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>T</mml:mi><mml:mi>o</mml:mi><mml:mi>t</mml:mi><mml:mi>a</mml:mi><mml:mi>l</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>, is minimized using Adam optimizer and is defined by <xref ref-type="disp-formula" rid="eqn-7">Eq. (7)</xref>
<disp-formula id="eqn-7"><label>(7)</label><mml:math id="mml-eqn-7" display="block"><mml:mtable columnalign="right left right left right left right left right left right left" rowspacing="3pt" columnspacing="0em 2em 0em 2em 0em 2em 0em 2em 0em 2em 0em" displaystyle="true"><mml:mtr><mml:mtd /><mml:mtd><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>T</mml:mi><mml:mi>o</mml:mi><mml:mi>t</mml:mi><mml:mi>a</mml:mi><mml:mi>l</mml:mi></mml:mrow></mml:msub><mml:mo>=</mml:mo><mml:msub><mml:mi>w</mml:mi><mml:mrow><mml:mi>d</mml:mi><mml:mi>a</mml:mi><mml:mi>t</mml:mi><mml:mi>a</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>d</mml:mi><mml:mi>a</mml:mi><mml:mi>t</mml:mi><mml:mi>a</mml:mi></mml:mrow></mml:msub><mml:mo>+</mml:mo><mml:msub><mml:mi>w</mml:mi><mml:mrow><mml:mi>P</mml:mi><mml:mi>h</mml:mi><mml:mi>y</mml:mi><mml:mi>s</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>p</mml:mi><mml:mi>h</mml:mi><mml:mi>y</mml:mi><mml:mi>s</mml:mi></mml:mrow></mml:msub><mml:mo>+</mml:mo><mml:msub><mml:mi>w</mml:mi><mml:mrow><mml:mi>b</mml:mi><mml:mi>c</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>b</mml:mi><mml:mi>c</mml:mi></mml:mrow></mml:msub><mml:mo>+</mml:mo><mml:msub><mml:mi>w</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>c</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>i</mml:mi><mml:mi>c</mml:mi></mml:mrow></mml:msub></mml:mtd></mml:mtr></mml:mtable></mml:math></disp-formula>where <inline-formula id="ieqn-34"><mml:math id="mml-ieqn-34"><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>d</mml:mi><mml:mi>a</mml:mi><mml:mi>t</mml:mi><mml:mi>a</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> is the mean squared error between the PINN&#x2019;s predictions and the RELAP5-3D and FDM-generated temperature data sets. <inline-formula id="ieqn-35"><mml:math id="mml-ieqn-35"><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>p</mml:mi><mml:mi>h</mml:mi><mml:mi>y</mml:mi><mml:mi>s</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> is the mean square error of the PDE residual, <inline-formula id="ieqn-36"><mml:math id="mml-ieqn-36"><mml:mrow><mml:mi>&#x211B;</mml:mi></mml:mrow><mml:mo stretchy="false">(</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi><mml:mo stretchy="false">)</mml:mo></mml:math></inline-formula>, evaluated at thousands of collocation points throughout the wall thickness. <inline-formula id="ieqn-37"><mml:math id="mml-ieqn-37"><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>b</mml:mi><mml:mi>c</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> and <inline-formula id="ieqn-38"><mml:math id="mml-ieqn-38"><mml:msub><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow><mml:mrow><mml:mi>i</mml:mi><mml:mi>c</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>are the errors at the boundary (cladding/outer wall) and the initial time step (<inline-formula id="ieqn-39"><mml:math id="mml-ieqn-39"><mml:mi>t</mml:mi><mml:mo>=</mml:mo><mml:mn>0</mml:mn></mml:math></inline-formula>). <inline-formula id="ieqn-40"><mml:math id="mml-ieqn-40"><mml:msub><mml:mi>w</mml:mi><mml:mrow><mml:mi>i</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> are the weighting coefficients (hyper-parameters) that balance the contribution of physics against the data. In this work, all physics-based weights were equal to 1, to prevent one term form dominating training. To ensure robust training and prevent vanishing gradients, all input features (<inline-formula id="ieqn-41"><mml:math id="mml-ieqn-41"><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi></mml:math></inline-formula>) and targets (<inline-formula id="ieqn-42"><mml:math id="mml-ieqn-42"><mml:mi>T</mml:mi></mml:math></inline-formula>) were scaled to the range [0, 1] using min-Max Scaling. Xavier (Glorot) initialization was used to maintain variance across layers. 5000 collocation points were sampled using a Latin Hypercube to ensure the physics loss was evaluated uniformly across the (<inline-formula id="ieqn-43"><mml:math id="mml-ieqn-43"><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi></mml:math></inline-formula>) domain. <xref ref-type="table" rid="table-2">Table 2</xref> shows a detailed hyper-parameter for the surrogate models for DNN and PINN architectures.</p>
<table-wrap id="table-2">
<label>Table 2</label>
<caption>
<title>Hyper-parameter setting for the DNN and PINN surrogate models.</title>
</caption>
<table>
<colgroup>
<col align="center"/>
<col align="center"/>
<col align="center"/>
</colgroup>
<thead>
<tr>
<th>Hyperparameter</th>
<th>DNN</th>
<th>PINN</th>
</tr>
</thead>
<tbody>
<tr>
<td>Number of hidden layers</td>
<td>4</td>
<td>4</td>
</tr>
<tr>
<td>Neurons per hidden layer</td>
<td>64</td>
<td>64</td>
</tr>
<tr>
<td>Activation function</td>
<td>ReLu</td>
<td>Tanh</td>
</tr>
<tr>
<td>Optimizer</td>
<td>Adam</td>
<td>Adam</td>
</tr>
<tr>
<td>Learning rate</td>
<td>1.0 &#x00D7; 10<sup>&#x2212;3</sup></td>
<td>5.0 &#x00D7; 10<sup>&#x2212;4</sup></td>
</tr>
<tr>
<td>Number of training epoches</td>
<td>200</td>
<td>200</td>
</tr>
<tr>
<td>Loss function</td>
<td>MSE</td>
<td>MSE &#x002B; PDE residual</td>
</tr>
<tr>
<td>Data split (Training/Validation/Test)</td>
<td>90%/5%/5%</td>
<td>90%/5%/5%</td>
</tr>
</tbody>
</table>
</table-wrap>
</sec>
</sec>
<sec id="s2_5">
<label>2.5</label>
<title>Surrogate Model Validation and Evaluation</title>
<p>To ensure validation, the dataset was split into training, validation and testing subsets. The validation wet was used for early stopping to prevent overfitting. The testing set data was used for final performance reporting. This ensures that the reported metrics reflect the model&#x2019;s true predictive capability on unseen data. Both quantitative and qualitative metrics were used for validation. Standard statistical measures included R-squared (<inline-formula id="ieqn-44"><mml:math id="mml-ieqn-44"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula>), Root Mean Squared Error (RMSE), MAE, MaxAE and NMAE across training, validation and unseen test datasets. Qualitatively, model performances have been visually assessed through time history plots, comparing predicted temperatures against simulation and FDM ground truth, at selected radial positions and times. Radial profile plots, illustrating temperature distributions across the wall at specific time snapshots have also been provided.</p>
</sec>
<sec id="s2_6">
<label>2.6</label>
<title>Numerical Experiment Setup</title>
<p>To evaluate the accuracy of the surrogate models, we designed three numerical experiments based on T/H transients. In experiment 1 (SBO), we simulated a 10,000 s transient characterised by a total loss of AC power. The experiment 2 (LOCA), represents a sudden depressurization event. This led in rapid fluid temperature fluctuations that impose high thermal gradients on the inner cladding of the pressurizer. Lastly, experiment 3 (SBO &#x002B; LOCA), is a composite scenario used to generalise across combined worse case accident phenomena. We trained and tested all the models (Polynomial, DNN and PINN) on the three experiments independently. This helps to evaluate the functional consistency of the surrogate models. <xref ref-type="table" rid="table-3">Table 3</xref> shows a summary of numerical experiment parameters used in the surrogate development.</p>
<table-wrap id="table-3">
<label>Table 3</label>
<caption>
<title>Summary of numerical experiments.</title>
</caption>
<table>
<colgroup>
<col align="center"/>
<col align="center"/>
</colgroup>
<thead>
<tr>
<th>Feature</th>
<th>Specification</th>
</tr>
</thead>
<tbody>
<tr>
<td>Transient duration</td>
<td>10,000 s</td>
</tr>
<tr>
<td>Time step <inline-formula id="ieqn-45"><mml:math id="mml-ieqn-45"><mml:mrow><mml:mi mathvariant="normal">&#x0394;</mml:mi></mml:mrow><mml:mi mathvariant="bold-italic">t</mml:mi></mml:math></inline-formula></td>
<td>1.0 s</td>
</tr>
<tr>
<td>Spatial discretization</td>
<td>100 radial nodes (3 in cladding, 97 in metal)</td>
</tr>
<tr>
<td>Input feature</td>
<td>Time inner <inline-formula id="ieqn-46"><mml:math id="mml-ieqn-46"><mml:mi>t</mml:mi></mml:math></inline-formula>, surface temperature <inline-formula id="ieqn-47"><mml:math id="mml-ieqn-47"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>, outer surface temperature <inline-formula id="ieqn-48"><mml:math id="mml-ieqn-48"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula></td>
</tr>
<tr>
<td>Target output</td>
<td>Radial temperature distribution <inline-formula id="ieqn-49"><mml:math id="mml-ieqn-49"><mml:mi>T</mml:mi><mml:mo stretchy="false">(</mml:mo><mml:mi>r</mml:mi><mml:mo>,</mml:mo><mml:mi>t</mml:mi><mml:mo stretchy="false">)</mml:mo></mml:math></inline-formula></td>
</tr>
</tbody>
</table>
</table-wrap>
</sec>
</sec>
<sec id="s3">
<label>3</label>
<title>Case Studies and Results</title>
<sec id="s3_1">
<label>3.1</label>
<title>Data Generation and Case Characteristics</title>
<p>All three accident scenarios commenced from a common initial steady-state condition (at 100 s). During this initial period, the inner pressurizer wall temperature (<inline-formula id="ieqn-50"><mml:math id="mml-ieqn-50"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>) was approximately 592 K, with an outer temperature (<inline-formula id="ieqn-51"><mml:math id="mml-ieqn-51"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>) of around 318 K. This established a consistent initial temperature gradient across the pressurizer vessel wall. During early reactor transient phase (time 100 to 300 s), a notable thermal drop occurs for all the three scenarios. The <inline-formula id="ieqn-52"><mml:math id="mml-ieqn-52"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> remained relatively stable around 560 K. The <inline-formula id="ieqn-53"><mml:math id="mml-ieqn-53"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> experienced an increase to approximately 320 K. This rapid equalization of pressurizer surface <inline-formula id="ieqn-54"><mml:math id="mml-ieqn-54"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>, suggests an immediate and significant alteration in the external heat transfer conditions. This is likely due to a sudden reduction in external cooling or changes in the primary coolant. <xref ref-type="fig" rid="fig-3">Fig. 3</xref> shows the generated RELAP5-3D <inline-formula id="ieqn-55"><mml:math id="mml-ieqn-55"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> and <inline-formula id="ieqn-56"><mml:math id="mml-ieqn-56"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> profiles for the pressurizer.</p>
<fig id="fig-3">
<label>Figure 3</label>
<caption>
<title>Pressurizer Temperature Profiles during simulated cases.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-3.tif"/>
</fig>
<sec id="s3_1_1">
<label>3.1.1</label>
<title>SBO Transient Behavior</title>
<p>During the early phase (100&#x2013;2000 s), <inline-formula id="ieqn-57"><mml:math id="mml-ieqn-57"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> dropped from around 690 K to a minimum of around 520 K. Concurrently, <inline-formula id="ieqn-58"><mml:math id="mml-ieqn-58"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> dropped from around 590 K to a minimum of around 310 K. This indicates a more gradual cooling effect, as compared to the LOCA cases. During rate phase of the transient (2000 to 10,000 s), both <inline-formula id="ieqn-59"><mml:math id="mml-ieqn-59"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> and <inline-formula id="ieqn-60"><mml:math id="mml-ieqn-60"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> reached a state of thermal equilibrium at their lower respective temperatures. The absence of a subsequent temperature rise indicates that the system stabilized at a lower energy state following the initial cooling phase.</p>
</sec>
<sec id="s3_1_2">
<label>3.1.2</label>
<title>LOCA Transient Behavior</title>
<p>Like SBO, both <inline-formula id="ieqn-61"><mml:math id="mml-ieqn-61"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> and <inline-formula id="ieqn-62"><mml:math id="mml-ieqn-62"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> underwent a significant initial decrease during early phase (time 100&#x2013;3000 s). <inline-formula id="ieqn-63"><mml:math id="mml-ieqn-63"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> dropped to minimum of approximately 350 K <inline-formula id="ieqn-64"><mml:math id="mml-ieqn-64"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>3000&#x2013;4000 s. <inline-formula id="ieqn-65"><mml:math id="mml-ieqn-65"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> also dropped to a minimum <inline-formula id="ieqn-66"><mml:math id="mml-ieqn-66"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>300 K during the same period. During the later phase of the transient (3000&#x2013;10,000 s), it was observed that both temperatures stable at these reduced levels. The transient behavior was similar to the SBO case, although the magnitude of the temperature drops were more pronounced for <inline-formula id="ieqn-67"><mml:math id="mml-ieqn-67"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula>.</p>
</sec>
<sec id="s3_1_3">
<label>3.1.3</label>
<title>SBO&#x002B;LOCA Transient Behavior</title>
<p>The thermal behavior in the SBO&#x002B;LOCA case shows an intermediate behavior. Both <inline-formula id="ieqn-68"><mml:math id="mml-ieqn-68"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi><mml:mi>n</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> and <inline-formula id="ieqn-69"><mml:math id="mml-ieqn-69"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>r</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula> showed a similar trend characterized by initial drops, followed by stabilisation at lower temperature levels in the later phases. This suggest that LOCA component might be the dominant factor influencing the thermal response of the pressurizer wall.</p>
</sec>
</sec>
<sec id="s3_2">
<label>3.2</label>
<title>Performance of the Surrogate Models</title>
<p>The adequacy of the training dataset was evaluated through two primary indicators, namely, convergence of the validation loss, and the generalization error on the unseen test set. Qualitative analysis performance time of history, and radial profile plots is provided. Throughout this work, the sampled temperature against time, were at selected radial positions; <inline-formula id="ieqn-70"><mml:math id="mml-ieqn-70"><mml:mi>r</mml:mi><mml:mo>=</mml:mo><mml:mn>1.025</mml:mn><mml:mspace width="thinmathspace" /><mml:mrow><mml:mtext>m</mml:mtext></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mi>a</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo>,</mml:mo><mml:mspace width="thinmathspace" /><mml:mi>r</mml:mi><mml:mo>=</mml:mo><mml:mn>1.1</mml:mn><mml:mspace width="thinmathspace" /><mml:mrow><mml:mtext>m</mml:mtext></mml:mrow><mml:mspace width="thinmathspace" /><mml:mo stretchy="false">(</mml:mo><mml:mi>b</mml:mi><mml:mo stretchy="false">)</mml:mo></mml:math></inline-formula>, <inline-formula id="ieqn-71"><mml:math id="mml-ieqn-71"><mml:mi>r</mml:mi><mml:mo>=</mml:mo><mml:mn>1.12</mml:mn><mml:mspace width="thinmathspace" /><mml:mrow><mml:mtext>m</mml:mtext></mml:mrow></mml:math></inline-formula> (<italic>c</italic>), and <inline-formula id="ieqn-72"><mml:math id="mml-ieqn-72"><mml:mi>r</mml:mi><mml:mo>=</mml:mo><mml:mn>1.175</mml:mn><mml:mspace width="thinmathspace" /><mml:mrow><mml:mtext>m</mml:mtext></mml:mrow><mml:mspace width="thinmathspace" /></mml:math></inline-formula> (<italic>d</italic>), as shown in <xref ref-type="fig" rid="fig-4">Fig. 4</xref>. Location <italic>a</italic> and <italic>d</italic> were the inner wall and outer walls of the pressurizer, respectively, while <italic>b</italic> and <italic>c</italic> are the intermediate points within the wall. In all the temperature profile plots, &#x201C;_0&#x201D; and &#x201C;_1&#x201D; represent the true value and model prediction value, respectively. And lastly, temperature profiles across the pressurizer wall at selected time snapshots, which are, <inline-formula id="ieqn-73"><mml:math id="mml-ieqn-73"><mml:mi>T</mml:mi><mml:mo>=</mml:mo><mml:mn>2000</mml:mn><mml:mspace width="thinmathspace" /><mml:mrow><mml:mtext>s</mml:mtext></mml:mrow></mml:math></inline-formula> (<italic>e</italic>), <inline-formula id="ieqn-74"><mml:math id="mml-ieqn-74"><mml:mi>T</mml:mi><mml:mo>=</mml:mo><mml:mn>5000</mml:mn><mml:mspace width="thinmathspace" /><mml:mrow><mml:mtext>s</mml:mtext></mml:mrow></mml:math></inline-formula> (<italic>f</italic>) and <inline-formula id="ieqn-75"><mml:math id="mml-ieqn-75"><mml:mi>T</mml:mi><mml:mo>=</mml:mo><mml:mn>8900</mml:mn><mml:mspace width="thinmathspace" /><mml:mrow><mml:mtext>s</mml:mtext></mml:mrow></mml:math></inline-formula> (<italic>g</italic>) have been provided.</p>
<fig id="fig-4">
<label>Figure 4</label>
<caption>
<title>Sampled plotting locations.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-4.tif"/>
</fig>
<sec id="s3_2_1">
<label>3.2.1</label>
<title>Polynomial Regression Model Performance</title>
<p>The model&#x2019;s ability to predict the temperature at any radial position as a function of time was evaluated on unseen data. The model achieved a high coefficient of determination (<inline-formula id="ieqn-76"><mml:math id="mml-ieqn-76"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula> <inline-formula id="ieqn-77"><mml:math id="mml-ieqn-77"><mml:mo>=</mml:mo></mml:math></inline-formula> 0.978), indicating that it captures a significant portion of the variance. The consistent performance across training, validation and test set, suggest that the model is not significantly overfitting. The RMSE and MAE are relatively low, indicating a good average fit, as shown in <xref ref-type="fig" rid="fig-5">Fig. 5</xref>. However, the MaxAE values ranged up to <inline-formula id="ieqn-78"><mml:math id="mml-ieqn-78"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>200.45 K. This suggests that there were specific instances where its prediction deviates highly from the actual data. The residual distribution plots show non-normal distribution with significant errors, as shown in <xref ref-type="fig" rid="fig-6">Fig. 6</xref>. The predicted against actual plots (as shown in <xref ref-type="fig" rid="fig-7">Fig. 7</xref>) show some deviations from the ideal 45-degree line. This confirms the model&#x2019;s low-level ability to accurately capture the nonlinear thermal behavior of the pressurizer wall, making it less reliable for safety-critical analysis.</p>
<fig id="fig-5">
<label>Figure 5</label>
<caption>
<title>Training and validation losses.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-5.tif"/>
</fig><fig id="fig-6">
<label>Figure 6</label>
<caption>
<title>Training set: residual distribution.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-6.tif"/>
</fig><fig id="fig-7">
<label>Figure 7</label>
<caption>
<title>Training set: predicted vs. actual.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-7.tif"/>
</fig>
<p>The results indicate that the polynomial model&#x2019;s predicted temperature (dashed lines), followed the overall true temperature trend (solid lines) as shown in <xref ref-type="fig" rid="fig-8">Fig. 8</xref>. However, a few deviations are observed, particularly during phases of rapid temperature changes. For LOCA and SBO&#x002B;LOCA cases, the model tends to smooth out sharp drops and subsequent fluctuations. The model was more stable for SBO case with its predictions for the middle and outer wall temperatures showing considerable divergence, particularly during the initial transient and later phases.</p>
<fig id="fig-8">
<label>Figure 8</label>
<caption>
<title>Temperature at selected radii.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-8.tif"/>
</fig>
<p>For LOCA, the model provides a good fit for the radial profiles (<xref ref-type="fig" rid="fig-9">Fig. 9</xref>). However, SBO&#x002B;LOCA and mostly SBO, the model shows more significant deviations in the radial profiles, particularly at the inner and outer radial extremes and during the early transient phases (T<inline-formula id="ieqn-79"><mml:math id="mml-ieqn-79"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>2000 s). It was seen that the model tends to smooth out the curvature of the temperature profile across the wall.</p>
<fig id="fig-9">
<label>Figure 9</label>
<caption>
<title>Temperature at selected times.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-9.tif"/>
</fig>
</sec>
<sec id="s3_2_2">
<label>3.2.2</label>
<title>DNN Model Performance</title>
<p>This model was designed to predict the temperature at any radial position as a function of time. From <xref ref-type="table" rid="table-4">Table 4</xref>, the DNN surrogate model showed exceptionally high performance, achieving an overall <inline-formula id="ieqn-80"><mml:math id="mml-ieqn-80"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup><mml:mo>&#x2248;</mml:mo><mml:mn>0.9996</mml:mn></mml:math></inline-formula> on the test set. The overall RMSE <inline-formula id="ieqn-81"><mml:math id="mml-ieqn-81"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>0.86 K and MAE <inline-formula id="ieqn-82"><mml:math id="mml-ieqn-82"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>0.52 K represent a significant reduction in average prediction error, as compared to the Polynomial Regression Model. A MaxAE of 44.4 K with NMAE <inline-formula id="ieqn-83"><mml:math id="mml-ieqn-83"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>0.13 are substantially low (as compared to Polynomial model) suggesting that the DNN model is more robust in handling extreme temperature deviations. Training and validation loss curves converged rapidly, and the model performance metrics confirms model&#x2019;s high accuracy as shown in <xref ref-type="fig" rid="fig-10">Fig. 10</xref>. Residual distribution plots, show a symmetric bell-shaped tightly clustered. This indicates model&#x2019;s errors were small and random, as shown in <xref ref-type="fig" rid="fig-11">Fig. 11</xref>. <xref ref-type="fig" rid="fig-12">Fig. 12</xref> shows data points laying on the ideal 45-degree line, indicating that the model provided accurate temperature predictions.</p>
<table-wrap id="table-4">
<label>Table 4</label>
<caption>
<title>Performance metric for the surrogate models.</title>
</caption>
<table>
<colgroup>
<col align="center"/>
<col align="center"/>
<col align="center"/>
<col align="center"/>
<col align="center"/>
<col align="center"/>
<col align="center"/>
</colgroup>
<thead>
<tr>
<th>Surrogate Model</th>
<th>Dataset/case</th>
<th><inline-formula id="ieqn-84"><mml:math id="mml-ieqn-84"><mml:msup><mml:mi mathvariant="bold-italic">R</mml:mi><mml:mrow><mml:mrow><mml:mtext mathvariant="bold">2</mml:mtext></mml:mrow></mml:mrow></mml:msup></mml:math></inline-formula></th>
<th>RMSE (K)</th>
<th>MAE (K)</th>
<th>MaxAE (K)</th>
<th>NMAE (%)</th>
</tr>
</thead>
<tbody>
<tr>
<td></td>
<td>Training</td>
<td>0.9767</td>
<td>7.69</td>
<td>3.74</td>
<td>200.72</td>
<td>0.97</td>
</tr>
<tr>
<td/>
<td>Verification</td>
<td>0.9763</td>
<td>7.77</td>
<td>3.76</td>
<td>172.95</td>
<td>0.98</td>
</tr>
<tr>
<td>Polynomial</td>
<td>Test (Overall)</td>
<td>0.9780</td>
<td>7.50</td>
<td>3.74</td>
<td>193.63</td>
<td>0.97</td>
</tr>
<tr>
<td>Regression</td>
<td>Test-SBO</td>
<td>0.9765</td>
<td>7.67</td>
<td>3.75</td>
<td>200.45</td>
<td>0.92</td>
</tr>
<tr>
<td/>
<td>Test-LOCA</td>
<td>0.9767</td>
<td>7.78</td>
<td>3.75</td>
<td>185.2</td>
<td>0.96</td>
</tr>
<tr>
<td/>
<td>Test-SBO&#x002B;LOCA</td>
<td>0.9783</td>
<td>7.50</td>
<td>3.74</td>
<td>197.8</td>
<td>0.94</td>
</tr>
<tr>
<td rowspan="6">DNN</td>
<td>Training</td>
<td>0.9999</td>
<td>1.06</td>
<td>0.81</td>
<td>18.5</td>
<td>0.17</td>
</tr>
<tr>
<td>Verification</td>
<td>0.9999</td>
<td>0.90</td>
<td>0.62</td>
<td>15.8</td>
<td>0.12</td>
</tr>
<tr>
<td>Test (Overall)</td>
<td>0.9996</td>
<td>1.04</td>
<td>0.79</td>
<td>24.8</td>
<td>0.21</td>
</tr>
<tr>
<td>Test-SBO</td>
<td>0.9998</td>
<td>0.69</td>
<td>0.53</td>
<td>13.72</td>
<td>0.13</td>
</tr>
<tr>
<td>Test-LOCA</td>
<td>0.9996</td>
<td>0.80</td>
<td>0.43</td>
<td>17.78</td>
<td>0.11</td>
</tr>
<tr>
<td>Test-SBO&#x002B;LOCA</td>
<td>0.9995</td>
<td>1.06</td>
<td>0.60</td>
<td>44.40</td>
<td>0.16</td>
</tr>
<tr>
<td rowspan="6">PINN</td>
<td>Training</td>
<td>0.9954</td>
<td>6.76</td>
<td>2.64</td>
<td>58.5</td>
<td>0.66</td>
</tr>
<tr>
<td>Verification</td>
<td>0.9962</td>
<td>6.26</td>
<td>2.77</td>
<td>72.7</td>
<td>0.64</td>
</tr>
<tr>
<td>Test (Overall)</td>
<td>0.9874</td>
<td>5.66</td>
<td>2.63</td>
<td>89.7</td>
<td>0.68</td>
</tr>
<tr>
<td>Test-SBO</td>
<td>0.9848</td>
<td>6.23</td>
<td>2.51</td>
<td>73.67</td>
<td>0.61</td>
</tr>
<tr>
<td>Test-LOCA</td>
<td>0.9853</td>
<td>5.14</td>
<td>2.53</td>
<td>147.92</td>
<td>0.67</td>
</tr>
<tr>
<td>Test-SBO&#x002B;LOCA</td>
<td>0.9864</td>
<td>5.57</td>
<td>2.87</td>
<td>189.7</td>
<td>0.78</td>
</tr>
</tbody>
</table>
</table-wrap><fig id="fig-10">
<label>Figure 10</label>
<caption>
<title>Training and validation losses.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-10.tif"/>
</fig><fig id="fig-11">
<label>Figure 11</label>
<caption>
<title>Training set: residual distribution.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-11.tif"/>
</fig><fig id="fig-12">
<label>Figure 12</label>
<caption>
<title>Training set: predicted vs. actual.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-12.tif"/>
</fig>
<p>The time history plots for the DNN model show a close agreement with the primary data, across the three accident cases. The model captures initial temperature fluctuations, prolonged plateaus and cooling, and re-stabilization trends. For example, (as shown in <xref ref-type="fig" rid="fig-13">Fig. 13</xref>) in the LOCA and SBO&#x002B;LOCA scenarios, the DNN model follows the rapid temperature drops and subsequent complex fluctuations with a few minimal deviations. Even in the challenging SBO case, where the polynomial model struggled, the DNN&#x2019;s predictions are better aligned with the primary data, capturing the initial transient and later stabilization phases with high fidelity. <xref ref-type="fig" rid="fig-14">Fig. 14</xref> shows that the DNN model, near perfectly alignment with the primary data at selected times across the pressurizer wall radius. This indicates the DNN&#x2019;s robust capability to predict the spatial temperature distribution at any given time, capturing the precise temperature gradients across the pressurizer wall thickness. However, challenges were observed in predicting sharp transients and oscillating temperature trends.</p>
<fig id="fig-13">
<label>Figure 13</label>
<caption>
<title>Temperature at selected radii.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-13.tif"/>
</fig><fig id="fig-14">
<label>Figure 14</label>
<caption>
<title>Temperature at selected times.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-14.tif"/>
</fig>
</sec>
<sec id="s3_2_3">
<label>3.2.3</label>
<title>PINN Model Performance</title>
<p>The PINN model provides a compelling trade-off between statistical accuracy and physical fidelity. While its overall test <inline-formula id="ieqn-85"><mml:math id="mml-ieqn-85"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula><inline-formula id="ieqn-86"><mml:math id="mml-ieqn-86"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>0.9874 is lower than that of DNN, its performance is physically consistent. The overall test RMSE <inline-formula id="ieqn-87"><mml:math id="mml-ieqn-87"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>5.66 K and MAE <inline-formula id="ieqn-88"><mml:math id="mml-ieqn-88"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>2.63 K are better than the polynomial regression model. As seen in <xref ref-type="fig" rid="fig-15">Fig. 15</xref> (Training and Validation Loss), the model&#x2019;s loss curves show a steady and consistent decrease. This indicates that the network effectively learned for both the primary temperature data and the physics constraints without overfitting. The performance metrics in <xref ref-type="table" rid="table-4">Table 4</xref> confirms this, with a higher <inline-formula id="ieqn-89"><mml:math id="mml-ieqn-89"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula> and moderate error values seen across the training, validation and test sets.</p>
<fig id="fig-15">
<label>Figure 15</label>
<caption>
<title>Training and validation losses.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-15.tif"/>
</fig>
<p>The residual distribution plots (<xref ref-type="fig" rid="fig-16">Fig. 16</xref>) indicates less clustered, as compared to purely data-driven models, with small and random distributed errors. However, this is still well centered around zero. The predicted against the actual plots (<xref ref-type="fig" rid="fig-17">Fig. 17</xref>) show that data points closely align with the ideal 45-degree line. This suggest that incorporating physical constraints is highly effective at capturing the dynamics of multi-regime transients, providing a more reliable tool for safety analysis.</p>
<fig id="fig-16">
<label>Figure 16</label>
<caption>
<title>Training set: residual distribution.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-16.tif"/>
</fig><fig id="fig-17">
<label>Figure 17</label>
<caption>
<title>Training set: predicted vs. actual.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-17.tif"/>
</fig>
<p>The PINN predicted plots for selected radial position (<xref ref-type="fig" rid="fig-18">Fig. 18</xref>), indicate that the model effectively captures the temperature trends at different depths within the pressurizer wall. The close agreement between the PINN and primary data, indicates that the model accurately learns and simulates the transient thermal behavior over time. Surprisingly, this included the rapid changes during the early phase of a transient and the slower progression to steady state. Lastly, <xref ref-type="fig" rid="fig-19">Fig. 19</xref> shows point wise validation of the PINN model&#x2019;s performance, indicating its reliability and accuracy. Therefore, the use of PINN in pipes such as pressurizer, could be pivotal in understanding the thermal transient behavior, as a substitute of IHPC.</p>
<fig id="fig-18">
<label>Figure 18</label>
<caption>
<title>Temperature at selected radii.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-18a.tif"/>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-18b.tif"/>
</fig>
<fig id="fig-19">
<label>Figure 19</label>
<caption>
<title>Temperature at selected times.</title>
</caption>
<graphic mimetype="image" mime-subtype="tif" xlink:href="EE_76328-fig-19.tif"/>
</fig>
<p>Although the DNN achieves the lowest numerical errors, it occasionally produces non-physical behavior during sharp transients, such as oscillatory temperature predictions and slight violations of the expected monotonic radial gradient. In contrast, the PINN maintains smooth, physically consistent profiles across the pressurizer wall. This is because its solution its constrained by the heat-conduction PDE. For example, during the early rapid-cooling phase of the LOCA case (t &#x003D; 1500&#x2013;2500 s), the DNN model slightly overshoots the mid-wall temperature, whereas the PINN preserves the correct curvature and gradient, dictated by the governing physics. The PINN ensures that the temporal and spatial derivatives are coupled according to the material&#x2019;s thermal diffusivity. This provides a more reliable basis for subsequent thermal stress and structural integrity assessment.</p>
</sec>
</sec>
<sec id="s3_3">
<label>3.3</label>
<title>Comparative Analysis of Surrogate Models</title>
<p>Quantitative performance of each surrogate model across all test cases is show in <xref ref-type="table" rid="table-4">Table 4</xref>. The performance metrics demonstrate that the surrogate models maintain consistent accuracy when evaluated on these independent cases.</p>
<p>Validation and comparative analysis of the Polynomial Regression, DNN and PINN surrogate models, show distinct capabilities in predicting time-depended heat conduction in the pressurizer wall under severe accident cases. The Polynomial Regression model indicate a reasonable general fit. It had a fastest convergence to solutions, as compared to both DNN and PINN surrogate models. However, the model had a MaxAE <inline-formula id="ieqn-90"><mml:math id="mml-ieqn-90"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>200.45 K, suggesting a need to investigate other better surrogate models. It also struggled to accurate capture sharp thermal transients and complex fluctuations, particularly in the SBO case where its predictions for the middle and outer walls had a few divergences from the simulation data. Overall, the results indicate that the model could led to a significant underestimation or overestimation of thermal stresses. This may compromise the structural integrity assessment of the pressurizer wall.</p>
<p>The DNN model showed a better performance across all the quantitative metrics. The history time plots were all close to the real data sets, capturing intricate temperature changes. Therefore, this model had better capabilities to model non-linear thermal dynamics of the pressurizer wall, under diverse transient conditions. It significantly outperformed the fixed-degree polynomial approach. The main drawback is in capturing high temperature fluctuations and maintaining physical consistency. The PINN provides a compelling trade-off between statistical accuracy and physical fidelity. While its overall physical test <inline-formula id="ieqn-91"><mml:math id="mml-ieqn-91"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula><inline-formula id="ieqn-92"><mml:math id="mml-ieqn-92"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>0.9892 is lower than the DNN, its performance is still exceptional and physically consistent. The overall test RMSE<inline-formula id="ieqn-93"><mml:math id="mml-ieqn-93"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>3.55 K and MAE<inline-formula id="ieqn-94"><mml:math id="mml-ieqn-94"><mml:mo>&#x223C;</mml:mo></mml:math></inline-formula>1.46 are a good improvement over the polynomial model. Qualitative analysis of temperature profiles confirmed the PINN&#x2019;s ability to accurately capture complex non-linear thermal behaviors across all the postulated accident cases.</p>
<p>A key sample of the PINN&#x2019;s advantage is its observed performance in data-sparse regions, and during high gradient transients, like the start of LOCA event. In these scenarios, the DNN&#x2019;s lack of physical constraints can lead to localized non-physical temperature wiggles, if the training data is not sufficiently dense. The PINN acts as a regularized model where the physics loss term penalises such artifacts, ensuring that the predicted cooling rates and internal thermal lags remain the bounds of physical reality. Also, more importantly, the PINN model was able to capture high-frequency temperature oscillations, and eliminates phase lag. This makes PINN a better candidate than DNN for T/H assessment, in scenarios of high temperature fluctuations.</p>
<p>The application of PINN in this study, demonstrates the feasibility of integrating physical laws, with data-driven learning to model transient heat conduction in NPP pipes. The incorporation of governing PDEs, initial and boundary conditions helped to improve generalization in data sparse regions, while reducing reliance on extensive simulation data. The encouragement performance obtained in this work, highlights the potential of PINN as a complementary tool in safety assessment. This would be of great use, particularly where conventional simulations may computationally be expensive for real-time analysis. However, challenges were observed in optimizing network architecture, balancing loss weights and scaling. This suggests a need for continued training and benchmarking surrogate models against high-fidelity codes, to establish reliability and regulatory acceptance.</p>
</sec>
</sec>
<sec id="s4">
<label>4</label>
<title>Conclusion and Recommendation</title>
<p>In this study, both data-driven and physics-informed surrogate models were developed and compared for predicting the transient temperature distribution in a PWR pressurizer wall during severe accident scenarios. Based on the results, the following conclusions are drawn:
<list list-type="simple">
<list-item><label>(1)</label><p>All models are capable of providing temperature predictions in near real time (on the order of milliseconds). This represents a significant computational speed-up compared to conventional RELAP5-3D and FDM simulations, which are computationally intensive for online monitoring applications.</p></list-item>
<list-item><label>(2)</label><p>While all three models achieved high statistical accuracy, the DNN exhibited the highest numerical precision with <inline-formula id="ieqn-95"><mml:math id="mml-ieqn-95"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula> of approximately 0.9996 and the lowest RMSE, making it a an effective interpolator for known temperature datasets.</p></list-item>
<list-item><label>(3)</label><p>The PINN achieved a favourable balance between statistical accuracy (<inline-formula id="ieqn-96"><mml:math id="mml-ieqn-96"><mml:msup><mml:mi>R</mml:mi><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup><mml:mo>=</mml:mo></mml:math></inline-formula> 0.987) and physical consistency. Unlike the DNN, the PINN enforces satisfaction of the governing heat conduction equation, ensuring the predicted temperature gradients remain physically meaningful, which is critical for trustworthy nuclear safety assessments.</p></list-item>
<list-item><label>(4)</label><p>The PINN model was able to capture high-frequency temperature oscillations, and to eliminate non-conservative peak predictions errors and phase lag in regions where data-driven models tend to struggle. This capability makes the PINN a more suitable candidate than the DNN for T/H assessments under conditions involving strong transient oscillations.</p></list-item>
<list-item><label>(5)</label><p>The successful application of these models to complex SBO and LOCA transients, demonstrates their potential for integration into digital twin frameworks for NPPs. Such integration could enable rapid structural integrity evaluations and thermal stress assessments during emergency conditions.</p></list-item>
<list-item><label>(6)</label><p>This work further confirms that incorporating physics-based loss terms acts as an effective regularization mechanism, reducing the risk of non-physical predictions in data sparse regions when compared to purely data-driven methods.</p></list-item>
</list></p>
<p>Future studies will focus on improving the robustness of PINN implementations, including the integration of Uncertainty Quantification (UQ) methods like Bayesian NNs and exploration of advanced data sampling strategies. To transition these models from research tools to practical engineering solutions, validation against experimental or real reactor operational data will be required. Additional extensions may include consideration of more complex scenarios, such as 3D geometries and fully coupled multiphysics phenomena.</p>
</sec>
</body>
<back>
<ack>
<p>This work was performed with the support of the U.S Department of Energy&#x2019;s Nuclear Energy University Program (NEUP) with the award No. DE-NE-0009505. This research has made use of the resources of the High-Performance Computing Center at Idaho National Laboratory, which is supported by the Office of the Nuclear Energy of the U.S Department of Energy and the National Science User Facilities under Contract No. DE-AC07-051D1517.</p>
</ack>
<sec>
<title>Funding Statement</title>
<p>This work was performed with the support of the U.S Department of Energy&#x2019;s Nuclear Energy University Program (NEUP) with the award No. DE-NE-0009505.</p>
</sec>
<sec>
<title>Author Contributions</title>
<p>Fabiano Thulu: conceptualization, methodology, software, investigation, data curation, formal analysis, visualization, writing&#x2014;original draft. Zeyun Wu: Conceptualization, supervision, funding acquisition, validation, writing&#x2014;review &#x0026; editing. All authors reviewed and approved the final version of the manuscript.</p>
</sec>
<sec sec-type="data-availability">
<title>Availability of Data and Materials</title>
<p>The datasets and materials generated and/or analysed during the current study are available from the corresponding author upon reasonable request.</p>
</sec>
<sec>
<title>Ethics Approval</title>
<p>This study did not involve human participants, human data, or animal subjects, and therefore ethical approval was not required.</p>
</sec>
<sec sec-type="COI-statement">
<title>Conflicts of Interest</title>
<p>The authors declare no conflicts of interest.</p>
</sec>
<glossary content-type="abbreviations" id="glossary-1">
<title>Nomenclature</title>
<def-list>
<def-item>
<term><inline-formula id="ieqn-97"><mml:math id="mml-ieqn-97"><mml:msub><mml:mrow><mml:mover><mml:mi>T</mml:mi><mml:mo>&#x02D9;</mml:mo></mml:mover></mml:mrow><mml:mrow><mml:mi>p</mml:mi><mml:mi>r</mml:mi><mml:mi>e</mml:mi><mml:mi>d</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula></term>
<def>
<p>Predicted temperature</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-98"><mml:math id="mml-ieqn-98"><mml:msub><mml:mi>h</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula></term>
<def>
<p>Inner heat flux</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-99"><mml:math id="mml-ieqn-99"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>R</mml:mi><mml:mi>E</mml:mi><mml:mi>L</mml:mi><mml:mi>A</mml:mi><mml:mi>P</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula></term>
<def>
<p>RELAP Temperature</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-100"><mml:math id="mml-ieqn-100"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>f</mml:mi><mml:mi>l</mml:mi><mml:mi>u</mml:mi><mml:mi>i</mml:mi><mml:mi>d</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula></term>
<def>
<p>Fluid temperature</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-101"><mml:math id="mml-ieqn-101"><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>s</mml:mi><mml:mi>t</mml:mi><mml:mi>e</mml:mi><mml:mi>a</mml:mi><mml:mi>d</mml:mi><mml:mi>y</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula></term>
<def>
<p>Temperature at steady state</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-102"><mml:math id="mml-ieqn-102"><mml:msub><mml:mi>c</mml:mi><mml:mrow><mml:mi>p</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula></term>
<def>
<p>Specific heat</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-103"><mml:math id="mml-ieqn-103"><mml:msub><mml:mi>r</mml:mi><mml:mrow><mml:mi>i</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula></term>
<def>
<p>Radial node position</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-104"><mml:math id="mml-ieqn-104"><mml:msub><mml:mi>r</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>n</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula></term>
<def>
<p>Inner radius</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-105"><mml:math id="mml-ieqn-105"><mml:msub><mml:mi>r</mml:mi><mml:mrow><mml:mi>o</mml:mi><mml:mi>u</mml:mi><mml:mi>t</mml:mi></mml:mrow></mml:msub></mml:math></inline-formula></term>
<def>
<p>Outer radius</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-106"><mml:math id="mml-ieqn-106"><mml:mrow><mml:mi mathvariant="normal">&#x0394;</mml:mi></mml:mrow><mml:mi>r</mml:mi></mml:math></inline-formula></term>
<def>
<p>Number of radial nodes</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-107"><mml:math id="mml-ieqn-107"><mml:mrow><mml:mi mathvariant="normal">&#x0394;</mml:mi></mml:mrow><mml:mi>t</mml:mi></mml:math></inline-formula></term>
<def>
<p>Time step</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-108"><mml:math id="mml-ieqn-108"><mml:mi mathvariant="normal">&#x2207;</mml:mi></mml:math></inline-formula></term>
<def>
<p>Nabla</p>
</def>
</def-item>
<def-item>
<term><italic>a</italic>0</term>
<def>
<p>True temp at 1.025 m</p>
</def>
</def-item>
<def-item>
<term><italic>a</italic>1</term>
<def>
<p>Predicted temp at 1.025 m</p>
</def>
</def-item>
<def-item>
<term><italic>b</italic>0</term>
<def>
<p>True temp at 1.1 m</p>
</def>
</def-item>
<def-item>
<term><italic>b</italic>1</term>
<def>
<p>Predicted temp at 1.1 m</p>
</def>
</def-item>
<def-item>
<term><italic>c</italic>0</term>
<def>
<p>True temp at 1.12 m</p>
</def>
</def-item>
<def-item>
<term><italic>c</italic>1</term>
<def>
<p>Predicted temp at 1.12 m</p>
</def>
</def-item>
<def-item>
<term><italic>d</italic>0</term>
<def>
<p>True temp at 1.175 m</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-109"><mml:math id="mml-ieqn-109"><mml:mi mathvariant="normal">&#x2202;</mml:mi></mml:math></inline-formula></term>
<def>
<p>Partial differential</p>
</def>
</def-item>
<def-item>
<term><italic>d</italic>1</term>
<def>
<p>Predicted temperature at 1.175 m</p>
</def>
</def-item>
<def-item>
<term><italic>e</italic>0</term>
<def>
<p>True temperature at 2000 s</p>
</def>
</def-item>
<def-item>
<term><italic>e</italic>1</term>
<def>
<p>Predicted temperature at 2000 s</p>
</def>
</def-item>
<def-item>
<term><italic>f</italic>0</term>
<def>
<p>True temperature at 5000 s</p>
</def>
</def-item>
<def-item>
<term><italic>f</italic>1</term>
<def>
<p>Predicted temperature at 5000 s</p>
</def>
</def-item>
<def-item>
<term><italic>g</italic>0</term>
<def>
<p>True temperature at 8900 s</p>
</def>
</def-item>
<def-item>
<term><italic>g</italic>1</term>
<def>
<p>Predicted temperature at 8900 s</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-110"><mml:math id="mml-ieqn-110"><mml:mrow><mml:mi>&#x02112;</mml:mi></mml:mrow></mml:math></inline-formula></term>
<def>
<p>Laplace Transform</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-111"><mml:math id="mml-ieqn-111"><mml:mrow><mml:mi>&#x211B;</mml:mi></mml:mrow></mml:math></inline-formula></term>
<def>
<p>Riemann integral</p>
</def>
</def-item>
<def-item>
<term>T</term>
<def>
<p>Kelvin temperature</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-112"><mml:math id="mml-ieqn-112"><mml:mi>i</mml:mi></mml:math></inline-formula></term>
<def>
<p>Interior node</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-113"><mml:math id="mml-ieqn-113"><mml:mi>k</mml:mi></mml:math></inline-formula></term>
<def>
<p>Thermal conductivity</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-114"><mml:math id="mml-ieqn-114"><mml:mi>r</mml:mi></mml:math></inline-formula></term>
<def>
<p>Radius</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-115"><mml:math id="mml-ieqn-115"><mml:mi>t</mml:mi></mml:math></inline-formula></term>
<def>
<p>Time</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-116"><mml:math id="mml-ieqn-116"><mml:mrow><mml:mi>&#x1D4A9;</mml:mi></mml:mrow></mml:math></inline-formula></term>
<def>
<p>Normal distribution</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-117"><mml:math id="mml-ieqn-117"><mml:mi>&#x03B2;</mml:mi></mml:math></inline-formula></term>
<def>
<p>Beta</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-118"><mml:math id="mml-ieqn-118"><mml:mi>&#x03B8;</mml:mi></mml:math></inline-formula></term>
<def>
<p>Angle</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-119"><mml:math id="mml-ieqn-119"><mml:mi>&#x03BB;</mml:mi></mml:math></inline-formula></term>
<def>
<p>lambda</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-120"><mml:math id="mml-ieqn-120"><mml:mi>&#x03C1;</mml:mi></mml:math></inline-formula></term>
<def>
<p>Density</p>
</def>
</def-item>
<def-item>
<term><inline-formula id="ieqn-121"><mml:math id="mml-ieqn-121"><mml:mi>&#x03F5;</mml:mi></mml:math></inline-formula></term>
<def>
<p>Epsilon</p>
</def>
</def-item>
</def-list>
<def-list>
<title>Abbreviations</title>
<def-item>
<term>AC</term>
<def>
<p>Alternating Current</p>
</def>
</def-item>
<def-item>
<term>CNNs</term>
<def>
<p>Convolution Neural Networks</p>
</def>
</def-item>
<def-item>
<term>DD</term>
<def>
<p>Data-Driven</p>
</def>
</def-item>
<def-item>
<term>DNN</term>
<def>
<p>Deep Neural Network</p>
</def>
</def-item>
<def-item>
<term>DoE</term>
<def>
<p>Design of Experiments</p>
</def>
</def-item>
<def-item>
<term>FDM</term>
<def>
<p>Finite Different Method</p>
</def>
</def-item>
<def-item>
<term>FTCS</term>
<def>
<p>Forward Time Central Space</p>
</def>
</def-item>
<def-item>
<term>IHCPs</term>
<def>
<p>Inverse Heat Conduction Problems</p>
</def>
</def-item>
<def-item>
<term>LHS</term>
<def>
<p>Latin Hypercube Sampling</p>
</def>
</def-item>
<def-item>
<term>LOCA</term>
<def>
<p>Loss of Coolant Accident</p>
</def>
</def-item>
<def-item>
<term>MAE</term>
<def>
<p>Mean Absolute Error</p>
</def>
</def-item>
<def-item>
<term>MaxAE</term>
<def>
<p>Maximum Absolute Error</p>
</def>
</def-item>
<def-item>
<term>NMAE</term>
<def>
<p>Normalized Mean Absolute Error</p>
</def>
</def-item>
<def-item>
<term>NN</term>
<def>
<p>Neural Networks</p>
</def>
</def-item>
<def-item>
<term>NPPs</term>
<def>
<p>Nuclear Power Plants</p>
</def>
</def-item>
<def-item>
<term>NRC</term>
<def>
<p>Nuclear Regulatory Commission</p>
</def>
</def-item>
<def-item>
<term>PDE</term>
<def>
<p>Partial Differential Equation</p>
</def>
</def-item>
<def-item>
<term>PINN</term>
<def>
<p>Physics-Informed Neural Network</p>
</def>
</def-item>
<def-item>
<term>PWR</term>
<def>
<p>Pressurized Water Reactors</p>
</def>
</def-item>
<def-item>
<term>ReLU</term>
<def>
<p>Rectified Linear Unit</p>
</def>
</def-item>
<def-item>
<term>RELAP</term>
<def>
<p>Reactor Excursion and Leak Analysis Program</p>
</def>
</def-item>
<def-item>
<term>RMSE</term>
<def>
<p>Root Mean Squared Error</p>
</def>
</def-item>
<def-item>
<term>ROMs</term>
<def>
<p>Reduced Oder Models</p>
</def>
</def-item>
<def-item>
<term>SBO</term>
<def>
<p>Station Blackout</p>
</def>
</def-item>
<def-item>
<term>T/H</term>
<def>
<p>Thermal-Hydraulics</p>
</def>
</def-item>
<def-item>
<term>UQ</term>
<def>
<p>Uncertainty Quantification</p>
</def>
</def-item>
</def-list>
</glossary>
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