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At least 757 records · Page 42

A Model Predictive Control to Improve Grid Resilience

The following article details a model predictive control (MPC) to improve grid resilience when faced with variable generation resources. This topic is of significant interest to utility power systems where distributed intermittent energy sources will increase significantly and be relied on for electric grid ancillary services. Previous work on MPCs has focused on narrowly targeted control applications such as improving electric vehicle (EV) charging infrastructure or reducing the cost of integrating Energy Storage Systems (ESSs) into the grid. In contrast, this article develops a comprehensive treatment of the construction of an MPC tailored to electric grids and then applies it integration of intermittent energy resources. To accomplish this, the following article includes a description of a reduced order model (ROM) of an electric power grid based on a circuit model, an optimization formulation that describes the MPC, a collocation method for solving linear time-dependent differential algebraic equations (DAEs) that result from the ROM, and an overall strategy for iteratively refining the behavior of the MPC. Next, the algorithm is validated using two separate numerical experiments. First, the algorithm is compared to an existing MPC code and the results are verified by a numerically precise simulation. It is shown that this algorithm produces a control comparable to existing algorithms and the behavior of the control carefully respects the bounds specified. Second, the MPC is applied to a small nine bus system that contains a mix of turbine-spinning-machine-based and intermittent generation in order to demonstrate the algorithm’s utility for resource planning and control of intermittent resources. This study demonstrates how the MPC can be tuned to change the behavior of the control, which can then assist with the integration of intermittent resources into the grid. The emphasis throughout the paper is to provide systematic treatment of the topic and produce a novel nonlinear control compatible design framework applicable to electric grids and the control of variable resources. This differs from the more targeted application-based focus in most presentations.

microgrid↗

COR-0011 Rev 6 MARVEL Project Code of Record

This Code of Record identifies the codes, standards, and procedures necessary to design, develop, construct, and startup the Microreactor Applications Research Validation and Evaluation (MARVEL) Project at the Materials and Fuel Complex (MFC) Transient Reactor Test (TREAT) Facility and the Idaho National Laboratory (INL). The MARVEL Project is an INL test microreactor funded by the United States Department of Energy (DOE) via the Microreactor Program (MRP). The goal of the project is to establish an operational nuclear applications test bed that can generate combined heat and power to enable integration and R&D with end-user technologies, as well as allow microreactor technologists to test next-generation control systems. The microreactor is a thermal reactor utilizing Uranium Zirconium Hydride (UZrH) fuel with review and authorization by the Department of Energy Idaho Operations Office (DOE-ID) for National Environmental Policy Act (NEPA) compliance, safety review, and supplemental readiness assessments for startup and operation. To enable rapid deployment, the MARVEL reactor will reside in the Transient Reactor Test (TREAT) Facility and utilize the existing operating Category B reactor facility, approved facility safety basis, operating crews, and recent re-start experience.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

Fuel Performance Evaluation of THOR-C Experiments

The Temperature Heatsink Overpower Response Commissioning (THOR-C) and THOR-Metal (THOR-M) experiments will be performed as part of an ongoing project for testing sodium fast reactor fuels with the Japan Atomic Energy Agency (JAEA). The THOR-C experiments consist of fresh metallic fuel pins and have been analyzed using the ABAQUS, Ansys codes and the BISON fuel performance code. THOR-M-Loss of Flow-1 (THOR-M-LOF-1) is designed to test an EBR-II irradiated fuel pin under LOF conditions. Simulation of the THOR-MLOF-1 experiment required first simulating the base irradiation of the fuel pin in EBR-II. MFUEL module of SAS4A/SASSYS-1 [1] is a physics-based metallic fuel performance model applicable to the normal operation, transient scenarios and fuel failure modeling including scenarios with bulk fuel melting. The model has been validated using EBR-II normal operation, separate effect transient tests as well as TREAT M-Series transient tests [2]. In this study, MFUEL models has been utilized together with a new capsule heat transfer model developed in this project. The new heat transfer model was necessary due to (1) significant amount of heat losses that required 2D heat transfer, (2) the presence of a titanium heat sink, rejecting a significant amount of heat, and (3) stagnant coolant conditions, which are inconsistent with SAS4A/SASSYS-1 (SAS) heat transfer model. Updates to SAS4A/SASSYS-1 and MFUEL has been described below, followed by a preliminary validation effort using the results from THOR-C-2 fresh fuel capsule experiment. A previous study for THOR-C-2 analysis using BISON code is also utilized in this study to model this test [3]. [1] D. O’Grady, A. J. Brunett, L. Ibarra, A. Karahan, T. Kim, T. S. Sumner, R. Thomas, T. H. Fanning, “The SAS4A/SASSYS-2 Version 5.7 Safety Analysis Code System,” Argonne National Laboratory,ANL/NSE-SAS/5.7, (2023). [2] A. Karahan, T. Kim, T. Fanning, D. O’Grady, “Validation of MFUEL Metal Fuel Performance Models of SAS4A/SASSYS-1,” Argonne National Laboratory, ANL/NSE-23/11, (2023). [3] M. Mihelish, A. Zabriskie, K. Paaren, P. Medvedev, C. Jensen, “Fuel Performance Predictions for the TREAT THOR-C Experiments,” Idaho National Laboratory, INL/RPT-23-73397, Revision 0, (2023)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Thermonuclear 28 P(p, γ ) 29 S reaction rate and astrophysical implication in ONe nova explosion

An accurate 28 P(p, γ) 29 S reaction rate is crucial to defining the nucleosynthesis products of explosive hydrogen burning in ONe novae. Using the recently released nuclear mass of 29 S, together with a shell model and a direct capture calculation, we reanalyzed the 28 P(p, γ) 29 S thermonuclear reaction rate and its astrophysical implication. We focus on improving the astrophysical rate for 28 P(p, γ) 29 S based on the newest nuclear mass data. Our goal is to explore the impact of the new rate and associated uncertainties on the nova nucleosynthesis. We evaluated this reaction rate via the sum of the isolated resonance contribution instead of the previously used Hauser-Feshbach statistical model. The corresponding rate uncertainty at different energies was derived using a Monte Carlo method. Nova nucleosynthesis is computed with the 1D hydrodynamic code SHIVA. The contribution from the capture on the first excited state at 105.64 keV in 28 P is taken into account for the first time. We find that the capture rate on the first excited state in 28 P is up to more than 12 times larger than the ground-state capture rate in the temperature region of 2.5 × 10 7 K to 4 × 10 8 K, resulting in the total 28 P(p, γ) 29 S reaction rate being enhanced by a factor of up to 1.4 at ~1 × 10 9 K. In addition, the rate uncertainty has been quantified for the first time. It is found that the new rate is smaller than the previous statistical model rates, but it still agrees with them within uncertainties for nova temperatures. The statistical model appears to be roughly valid for the rate estimation of this reaction in the nova nucleosynthesis scenario. Using the 1D hydrodynamic code SHIVA, we performed the nucleosynthesis calculations in a nova explosion to investigate the impact of the new rates of 28 P(p, γ) 29 S. Our calculations show that the nova abundance pattern is only marginally affected if we use our new rates with respect to the same simulations but statistical model rates. Finally, the isotopes whose abundance is most influenced by the present 28 P(p, γ) 29 S uncertainty are 28 Si, 33,34 S, 35,37 Cl, and 36 Ar, with relative abundance changes at the level of only 3% to 4%.

Astronomy & Astrophysics↗

Validation of Computational Fluid Dynamics Simulations for Biological Performance Assessment in Hydropower units (Final Report)

The biological performance assessment (BioPA) toolset developed by Pacific Northwest National Laboratory (PNNL) estimates the relative biological performance of fish passage at a hydroelectric power turbine unit. The tool is based on the use of computational fluid dynamics (CFD) and fish biological response relationships. The recent release, BioPA-v3, is based on directly computed trajectory and collision of material Lagrangian particles using CFD simulation codes rather than the prior version that relies on Tecplot to compute streamtrace trajectories. Before modifying the toolset, a series of validation tests were performed at the various steps of modification in the toolset. Validation is a critical step of any numerical investigation that reflects the accuracy and reliability of the predicted results. It raises the confidence level of the user to use the modified version of the BioPA toolset. Several test cases were simulated and compared, where available, to observed data. The trajectory and collision of the small spherical and cylindrical particles in a water flume were compared to in-house experiments. The CFD predicted collision rate and flow field compared well with experimental observation for vane array and large cylinder as target bodies. Next, the CFD-predicted flow field and hydraulic performance of a laboratory-scale model of a Francis turbine was also successfully validated. Note that the trajectory of the particles is significantly affected by the flow field in such extreme conditions. In addition to the particle trajectories and flow field, the collision detection method employed in the CFD simulations was also successfully validated. The CFD predicted impact velocity, collision time, velocity, and trajectory of a sphere excellently matched with analytical value for a bouncing ball in the elastic collision. A similar approach was also tested and successfully validated for a collision of sphere with a 45° inclined plane. After successfully validating different cases, the BioPA toolset was modified to use direct output of the CFD prediction and the new version can be used in evaluating biological performance at hydroelectric turbines.

13 HYDRO ENERGY↗

Experimental validation of an integrated modelling approach to neutron emission studies at JET

An integrated modelling methodology for the calculation of realistic plasma neutron sources for the JET tokamak has been developed. The computational chain comprises TRANSP plasma transport and DRESS neutron spectrum calculations, and their coupling to the MCNP neutron transport code, bridging plasma physics and neutronics. Here, we apply the developed methodology to the analysis of neutron emission properties of deuterium and helium plasmas at JET, and validate individual modelling steps against neutron diagnostic measurements. Two types of JET discharges are modelled—baseline-like and three-ion radio-frequency scenarios—due to their diversity in plasma heating, characteristics of the induced fast ion population, and the imprint of these on neutron emission properties. The neutron emission modelling results are quantitatively compared to the total neutron yield from fission chambers, neutron emissivity profiles from the neutron camera, neutron spectra from the time-of-flight spectrometer, and neutron activation measurements. The agreement between measured and calculated quantities is found to be satisfactory for all four diagnostic systems within the estimated experimental and computational uncertainties. Additionally, the effect of neutrons not originating from the dominating D(D, n) 3 He reactions is studied through modelling of triton burnup DT neutrons, and, in mixed D- 3 He plasmas, neutrons produced in the 9 Be(D, nγ) 10 B reaction on impurities. It is found that these reactions can contribute up to several percent to the total neutron yield and dominate the neutron activation of samples. Finally, the effect of MeV-range fast ions on the neutron activation of 115 In and 27 Al samples is measured and computationally validated.

integrated modelling↗

MOOSE-based Tritium Migration Analysis Program, Version 8 (TMAP8) for advanced open-source tritium transport and fuel cycle modeling

Tritium management is critical for the safety, sustainability, and economics of fusion energy systems, and advanced and reliable modeling tools help accelerate the development of tritium technologies. This paper presents the Tritium Migration Analysis Program, Version 8 (TMAP8), an open-source, MOOSE-based application developed to provide state-of-the-art tritium transport and fuel cycle modeling capabilities. TMAP8 aims to expand the capabilities of previous versions (i.e., TMAP4 and TMAP7) by leveraging modern computational techniques, ensuring high software quality assurance standards (key to building trust), and enabling multispecies, multiscale, and multiphysics simulations for integrated tritium transport modeling in complex geometries. This paper outlines TMAP8’s scope and rigorous development practices, emphasizing its transparency, accessibility, modularity, and reliability. We present the current suite of verification and validation cases based on those from TMAP4, demonstrating TMAP8’s accuracy and reliability against analytical solutions and experimental data. Additionally, the paper showcases TMAP8’s integrated fuel cycle modeling capabilities, highlighting its applicability at various scales and levels. The TMAP8 code and documentation are openly available, promoting collaborative development and widespread adoption within the fusion community. Future work will soon expand TMAP8’s verification and validation suite to include those from TMAP7 and other recent experimental studies for validation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

STAT7 v1.2 Verification and Validation Report

This report documents the software testing which has been performed for the STAT7 Version 1.2 (hereafter STAT7 v1.2) software, a code for the statistical propagation of uncertainties in steady-state thermal hydraulics (TH) analysis of plate-fueled research and test reactors. The key capabilities addressed in this testing were selected based on the use of the software for analysis work supporting the conversion to low-enriched uranium fuel of U.S. High-Performance Research Reactors (USHPRR) such as the Massachusetts Institute of Technology Research Reactor (MITR-II). This testing scope includes comparison of the code’s statistical processing capabilities using statistical tests, comparison of coolant property evaluations to NIST data tables, and systematic comparison of key TH solver capabilities to the results of hand calculations and to predictions from PLTEMP/ANL Version 4.4. The good agreement achieved in this testing campaign, within the acceptance criteria of a 1% relative difference, also demonstrates that these capabilities have been implemented in STAT7 v1.2 correctly.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Initial ASME code rule analysis on Simple and Full assessment

ASME & ASTM codes present simple and full assessment methodologies to qualify nuclear grade graphite components. This report explains the theory behind the statistical portion of the codes and describes the issues discussed in a 2020 workshop in the simple assessment, as well as the full assessment. The methodology for the full assessment was developed by Hindley []. He used a validation methodology to match the experimental average failure load of test specimens from several geometries to the calculated 50% POF load to tune the grouping criteria parameters based on an RMSE penalty function. The grouping criteria consists of a minimum volume to satisfy the weakest link theory of the Weibull distribution and a minimum stress range parameter. Hindley’s work found a minimum link volume of 10 times the grain size and a stress range parameter of 7% [satisfy the validation requirements. Several studies found that the link volume of 10 times the grain size was not satisfactory for the volume grouping criteria for graphite grades with fine grains. ASME 2021 code adopted a new volume grouping criteria based on fracture toughness for calculation of the process zone volume. However, errors were found in the ASME 2021 code process zone volume equation and the question is now open as to what volume grouping criteria is satisfactory. This report presents results from sensitivity studies that were done to evaluate the volume grouping criteria effect on the full assessment POF. This report also presents results from sensitivity studies on other aspects of the code that affect the POF, the mesh size and the choice of the Weibull threshold parameter. All three sensitivity studies: the volume grouping criteria, the mesh size, and the threshold parameter choice are found to affect the component qualification decision for components of structural reliability class 1 (SRC-1). The sensitivity analysis results are presented in the body of the report for NBG-18, which is the same grade of graphite as Hindley used in his thesis. Results from NBG-17, IG-110, 2114, and PCEA are presented in the Appendix. For NBG-18, it was found that increasing the threshold increases the POF, finer meshes result in higher POFs, and that smaller link volume requirements lead to higher POFs (which is inconsistent with Hindley’s findings). This report proposes a new validation study similar to Hindley’s []. The purpose of the new validation study is to tune the threshold, mesh size and grouping criteria based on results from multiple grades of graphite, including finer grain graphites T220 (1-3 microns) and NG-CT-50 (5 microns). The test specimens will be broken at 3 labs, such that we can measure between lab measurement variability, with at least 5 test specimens per lab such that the within lab uncertainty can also be measured. Hindley’s validation method tried matching the average experimental load with the median. The future study will attempt to match failures at lower percentiles, which would be closer to the SRC POF limit. We are currently looking into what geometries make sense and the best method to measure multi-axial stress states. These design decisions are still being set.

36 MATERIALS SCIENCE↗

SYSTEMATIC MULTI-INDEX VALIDATIONS OF SIDI ENGINE FLOW FIELD LES COMPUTATIONS USING CRANK ANGLE-RESOLVED PIV MEASUREMENTS

In-cylinder flow fields make significant impacts on the fuel atomization, fuel mixture formation, and combustion process in spark ignition direct injection (SIDI) engines. In recent years, model-based simulation approaches are preferred in regard to investigating the transient in-cylinder flow field characteristics. Most commonly, the simulation models are validated using single representative flow field at a typical crank angle measured by particle image velocimetry (PIV). However, it provides only limited knowledge about the flow field which is highly three-dimensional and of transient nature. In this study, crank angle-resolved Ply measurements are conducted on three distinct planes inside the cylinder to capture the transient process of flow field characteristics which vary with the crank angle. These three planes consist of one tumble plane through the spark plug tip, one tumble plane along two intake ports, and one swirl plane at 30 mm below the cylinder head. Large eddy simulation (LES) is employed for the numerical computations using the CONVERGE codes. On the basis of large datasets for both temporal and spatial domains, a multi-index systematic validation approach is conducted. Crank angle-resolved calculations of global indices and local indices are implemented using the flow fields velocity data obtained from both PIV and LES on select planes. Global indices reveal the trends in similarities of different crank angle degrees and locations, while local indices give the detail comparison results. In summary, with the systematic multi-index validation approach, the crucial crank angle degrees and locations for model verification will be detected. Furthermore, the corresponding critical flow features are analyzed. Practical guideline of flow field validation is proposed.

Crank angle-resolved PIV↗

BISON capability and validation for U3Si2, Cr2O3-doped UO2, FeCrAl, and Cr-coated Zircaloy ATF concepts

Development, implementation, and validation of material and behavior models for accident tolerant fuel (ATF) concepts in the BISON fuel performance code began in 2014 in response to the events that occurred at the Fukushima Daichii nuclear power plant in March 2011. Early on, the focus was on U3Si2 fuel and FeCrAl cladding as part of a high-impact problem through the Nuclear Energy and Advanced Model- ing Simulation program [1]. Then, developments for Cr2O3- doped UO2 fuel, as well as SiC-SiC and Cr-coated Zircaloy cladding began based upon industry interests. Near the end of fiscal year 2018 the Consortium for Advanced Simulation of Light Water Reactors took over further Accident Tolerant Fuel (ATF) work in BISON in support of Nuclear Regulatory Commission (NRC) engagement. Discussions with the NRC clarified their list of priority fuel and cladding concepts, which included Cr2O3-doped UO2 and U3Si2 fuels, as well as Cr-coated Zircaloy and FeCrAl claddings. Further, reports similar in form to NUREG/CR-7024 [2] that was developed for traditional light water reactor (LWR) materials, UO2 fuel with Zircaloy claddings were created for the priority fuel and cladding concepts. In this paper select details from the reports entitled "ATF material model development and validation for priority fuel concepts" [3] and "ATF material model development and validation for priority cladding concepts" [4] are presented. First, a brief overview of the available models and their associated uncertainty are provided for the priority fuel and cladding concepts. Then, for the concepts with experimental data, comparisons between simulation and experiment are shown taking into account forward uncertainty quantification (UQ) techniques. For the concepts without publicly available experimental data, parametric studies incorporating forward UQ are completed to verify claims made about the materials’ behavior.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Extending the Nuclide Inventory Validation Basis for High-Burnup Fuel with New Radiochemical Assay Data

Efforts are underway at Oak Ridge National Laboratory to improve the nuclide inventory validation basis for spent nuclear fuel at high burnups. Recently conducted radiochemical assay experiments provided new measurement data for nine samples of fuel irradiated in a pressurized water reactor, with estimated sample burnups in the 30 to 70 GWd/t range. This type of destructive assay data is essential for validating computational methods, tools, and nuclear data applied in nuclear safety analyses and for improving our understanding of the bias and uncertainty in code predictions. The measurement data include key actinides and fission products that span a gamut of needs and interests for nuclear science and engineering applications in criticality safety, reactor physics, nuclide inventory, decay heat, and radiation shielding. The SCALE 6.3 code system with ENDF/B-VII.1 cross-section libraries was used to simulate the irradiation histories of the measured fuel samples. The calculated nuclide concentrations are compared to corresponding measurement data. The significance of the comparisons is discussed, emphasizing how the addition of the new measurement data fills gaps in the validation basis at high burnups and contributes to the decrease in bias and uncertainty for predicted nuclide concentrations. The discussion addresses the effect of the sample burnup used in the simulation—which is based on reactor operator records or on calibration to measured data for burnup indicator fission products—on the validation results.

Nuclide inventory↗

Retro-Commissioning Sensor Suitcase for Energy Efficiency

This project will enable Pacific Northwest National Laboratory (PNNL) and Lawrence Berkeley National Laboratory (LBNL) to work with industry partner, GreenPath Energy Solutions, joint developers of the Suitcase, to enhance the capabilities and usability of the Retro-Commissioning Sensor Suitcase (hereinafter the Sensor Suitcase or Suitcase), assisting GreenPath to take the Suitcase to market and rapidly expand their market share. The proposed project will specifically focus on 1) adding sensors types to extend the data collection capability and support more building and equipment performance metrics and identification of even more energy saving opportunities, 2) developing algorithms to identify recommendations for the new energy savings opportunities from item 1 and to prototype software modifications implementing them, 3) validating the use of vibration sensors to detect the operating state of a broader set of packaged HVAC equipment (additional capacities, different numbers of stages, etc.) than tested in initial development and modifying the state algorithm and software code, as needed, 4) improving cost-effectiveness in manufacturing the Sensor Suitcase, and 5) additional field testing of the technology in real buildings to more comprehensively validate Suitcase performance and to guide refinement of its capabilities. Project results will position GreenPath, and potential future licensees, to implement the new capabilities developed in this project in GreenPath’s RCx Building Suitcase, increasing its functionality and the savings resulting from its use. These enhancements will increase the value of the Suitcase to users and increase the potential market for its use and impacts in that impact.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Nuclear Canister Corrosion Detection

The software titled "nccd" is used for running residual neural networks (ResNets) on images of nuclear canisters. The software provides only the code for the implementation (based on the fastai library), but it does not share the image data. The compute code allows the use of residual nets (and more generally of other deep learning models) for classifying images from nuclear canisters as corroded. or intact. An image is considered to be corroded if it contains pitting or stress corrosion cracks. The code trains ResNets on image tiles extracted from original images from nuclear canisters, and then implements a classification rule, which can be applied to a validation set to decide if each original image is corroded or intact. The software automates the process of using images taken from nuclear canisters to detect corrosion. It provides also scope for future research directions on the basis of the existing research and code.

Papamarkou, Theodore↗

Designing stellarators using perpendicular permanent magnets

We have developed a fast method to design perpendicular permanent magnets for simplifying stellarator coils based on existing codes. Coil complexity is one of the main challenges for stellarators. To date, only electromagnetic coils have been used to generate 3D fields for stellarators. Permanent magnets provide an alternative way to produce the desired magnetic field for optimized stellarators. In this paper, we revisit the concept of representing surface current using magnetic dipoles and carry out numerical validations. A surface magnetization is proven to be equivalent to the surface current that can be linearly solved by existing coil design codes. An incremental multi-layer method has been developed to obtain a practical solution that is attainable with present permanent magnets. With this method, we can reproduce a half-Tesla NCSX configuration using specially designed neodymium magnets together with simple planar coils. It shows that stellarator coils could be substantially simplified by adopting permanent magnets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Analysis of fast-ion losses measured in MAST-U via infrared thermography and a Fast Ion Loss Detector

Fast-ion losses need to be monitored to avoid damage to plasma facing components. In existing experimental devices, the scintillator-based fast-ion loss detector (FILD) is the most advanced diagnostic for measuring fast-ion losses. However, FILDs provide only local information about the losses. Infrared (IR) thermography can be used as a complementary tool for more global monitoring of the deposition of fast-ion losses on the wall, at the expense of no velocity-space resolution. IR cameras measure the temperature of the plasma facing components. This measurement, determined by a combined effect of the thermal plasma, radiation, neutrons and fast-ion losses, can be decomposed to infer the fast-ion load on the tokamak wall. In this manuscript, a workflow to estimate fast-ion losses via IR thermography is applied to the MAST-U spherical tokamak, using a 1D approximation to extract the experimental heat flux on the FILD front face from IR data. To numerically estimate the different contributions to this total heat flux, the field-line tracing environment SMITER is used to calculate the thermal plasma contribution, the orbit-following Monte-Carlo code ASCOT to estimate the fast-ion losses, and bolometry measurements for the radiation. To validate the workflow, two discharges, L-mode plasmas with low MHD activity, were executed using on and off-axis beams, respectively. The experimentally and numerically estimated heat flux are of the same order of magnitude for the on-axis heated scenario, with a strong dependence of the estimated fast-ion losses contribution on the fit to the kinetic profiles used as input. This is also true for the off-axis heated scenario, where the total numerically estimated heat flux is 2.1 or 1.3 times higher than the maximum experimentally estimated heat flux, depending on the ASCOT input used.

FILD↗

Enhancing Monte Carlo Workflows for Nuclear Reactor Analysis with Metamodel-Driven Modeling

Monte Carlo codes are essential components of many reactor physics simulation workflows as high-fidelity continuous-energy neutron transport solvers. Among Monte Carlo radiation transport codes, MCNP is particularly notable due to its diverse simulation capabilities, large user base, and long validation history. Despite being a powerful simulation tool, MCNP provides limited capabilities to allow automated execution, model transformation, or support for user-defined logic and abstractions that limit its compatibility with modern workflows. Here, to better integrate MCNP into a modern scientific workflow, we have developed an intuitive yet full-featured MCNP Application Program Interface (API) in Python, named MCNPy, which provides a specialized set of classes for MCNP input development. Moreover, to guarantee that our reading, writing, and modeling capabilities remain self-consistent (and to render the huge scope of the MCNP API manageable), we have adopted a strategy of model-driven software development in which a generalized model of the MCNP input format has been created. From this generalized model, or “metamodel,” problem-specific implementations such as an engine for input validation or a codebase for programmatic operations may be automatically generated. Since MCNPy primarily acts as a Python front-end to the underlying Java API that directly interfaces with the metamodel, it is intrinsically linked to the metamodel and thus remains maintainable. With MCNPy, users can programmatically read, write, and modify any syntactically valid MCNP input file regardless of its origin. These capabilities allow users to automate complicated tasks like design optimization and model translation for nuclear systems. As examples, this work demonstrates the use of MCNPy to find the critical radius of a plutonium sphere and to translate a 9000+ line MCNP input file into a corresponding OpenMC model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

SISSO (Sure-independence-screening sparsifying-operator regressor)

Implementation of the SISSO regression algorithm in MATLAB. The SISSO regression algorithm iteratively selects model features from candidates, converging even when the number of possible features is much greater than the number of available data points. Includes a test script that validates the algorithm by replicating the results using data and procedure from https://analytics-toolkit.nomad-coe.eu/hub/user-redirect/notebooks/tutorials/compressed_sensing.ipynb. Python code from the SISSO regressor in 'sisso.py', from the link above, was used as the basis for developing the MATLAB implementation. The SISSO regression algorithm is detailed by the original authors in R. Ouyang, S. Curtarolo, E. Ahmetcik et al., Phys. Rev. Mater. 2, 083802 (2018), R. Ouyang, E. Ahmetcik, C. Carbogno, M. Scheffler, and L. M. Ghiringhelli, J. Phys.: Mater. 2, 024002 (2019).

Gasper, Paul↗