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At least 649 records · Page 36

Sensitivity Analysis and Uncertainty Quantification for the LAMMPS Molecular Dynamics Simulation Code

We examine sensitivity analysis and uncertainty quantification for molecular dynamics simulation. Extreme (large or small) output values for the LAMMPS code often occur at the boundaries of input regions, and uncertainties in those boundary values are overlooked by common SA methods. Similarly, input values for which code outputs are consistent with calibration data can also occur near boundaries. Upon applying approaches in the literature for imprecise probabilities (IPs), much more realistic results are obtained than for the complacent application of standard SA and code calibration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

System and method for identifying and comparing code by semantic abstractions

Certain embodiments of the present invention are configured to facilitate analyzing computer code more efficiently. For example, by conducting a first level abstraction (e.g., symbolic interpretation and algebraic simplification) and a second level abstraction (e.g., generalization) of the computer code, the analysis may more accurately account for variations in the code that may occur as a result of register renaming, instruction reordering, choice of instructions, etc. while minimizing the cost of computations required to perform the analysis.

Lakhotia, Arun↗

Extension of the DIF3D Code for Molten Salt Reactor Analysis

The molten salt reactor (MSR) with the fuel dissolved into the liquid salt has been selected as one of the six Generation-IV reactors due to its excellent characteristics in the aspects of sustainability, economy, passive safety, and resource utilization. In a MSR, the fuel salt is circulated throughout the whole system and thus some of delayed neutron precursors generated in the core decay in position of low importance or even out of the core. As a result, the multiplication factor (k-eff) of MSR is smaller than that of a reactor of stationary fuel when all the other conditions are same. Therefore, the neutronics code developed for stationary fuel cannot be applied directly to MSR analysis. In this paper, we describe the extension and application of the DIF3D code to MSR neutronics analysis. The DIF3D code system is a multi-group steady-state neutron diffusion and transport theory solver. It provides three flux solution options: finite-difference diffusion theory, nodal diffusion theory, and variational nodal transport theory methods. Eigenvalue, adjoint, fixed source and criticality (concentration) search problems are permitted. The DIF3D code has recently been modified to model the flowing fuel. To verify the new capability of DIF3D, the MSFR [4] core was analyzed with a wide range of velocity field of fuel salt and time spent outside of the core.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Development, Testing and Validation of a Waste Assay System for the Measurement and Characterisation of Active Spent Fuel Element Debris From UK Magnox Reactors - 12533

This paper describes the development, testing and validation of a waste measurement instrument for characterising active remote handled radioactive waste arising from the operation of Magnox reactors in the United Kingdom. Following operation in UK Magnox gas cooled reactors and a subsequent period of cooling, parts of the magnesium-aluminium alloy cladding were removed from spent fuel and the uranium fuel rods with the remaining cladding were removed to Sellafield for treatment. The resultant Magnox based spent fuel element debris (FED), which constitutes active intermediate level waste (ILW) has been stored in concrete vaults at the reactor sites. As part of the decommissioning of the FED vaults the FED must be removed, measured and characterised and placed in intermediate storage containers. The present system was developed for use at the Trawsfynydd nuclear power station (NPS), which is in the decommissioning phase, but the approach is potentially applicable to FED characterisation at all of the Magnox reactors. The measurement system consists of a heavily shielded and collimated high purity Germanium (HPGe) detector with electromechanical cooling and a high count-rate preamplifier and digital multichannel pulse height analyser. The HPGe based detector system is controlled by a software code, which stores the measurement result and allows a comprehensive analysis of the measured FED data. Fuel element debris is removed from the vault and placed on a tray to a uniform depth of typically 10 cm for measurement. The tray is positioned approximately 1.2 meters above the detector which views the FED through a tungsten collimator with an inverted pyramid shape. At other Magnox sites the positions may be reversed with the shielded and collimated HPGe detector located above the tray on which the FED is measured. A comprehensive Monte Carlo modelling and analysis of the measurement process has been performed in order to optimise the measurement geometry and eliminate interferences from radioactive sources and FED in the immediate vicinity of the measurement position. The detector system has been calibrated and high activity radioactive sources of Cs-137, Co-60 and Na-22 have been used to validate the measurement process. The data acquisition and analysis software code has been tested and validated in keeping with the software quality assurance requirements of both ISO:9001-2008 - TICK-IT in the UK and NQA-1. The measurement and analysis system has been comprehensively tested with high activity sources, is flexible and may be applicable to a wide range of remote handled radioactive waste measurement applications. It is due to be installed at Trawsfynydd NPS later this year. This paper describes the Waste Tray Assay System (WTAS) that has been developed for the measurement of Magnox FED waste. The WTAS has been tested with a range of radioactive sources and its operation has been simulated with benchmarked MCNP Monte Carlo calculations. The measurement software has been validated as has the operation of the system for a range of strong radioactive sources. A system based on the design is due for installation and operation in 2012. The system has application to the measurement of Magnox Fuel Element Debris (FED) waste at other Magnox reactor sites. The major design objective of the WTAS that has been achieved is the ability of the assay system to determine the content of Cs-137, and in turn to enable the fissile burden to be assessed using a radionuclide fingerprint, in the presence of higher and highly variable quantities of Co-60, typically from nimonic springs. The approach can be used in other Magnox FED waste configurations where the detector is located above the FED waste sorting tray and where the collimation is fixed below the detector and at a distance above the tray. In this case, which has also been investigated, there are different shielding problems and mechanical support issues. The extensive use of MCNP Monte Carlo modelling to simulate the geometry of the sorting cell and the distribution of radioactive sources has helped to ensure that all of the detector shielding requirements are addressed and suitable Cs-137 and Co-60 discrimination can be achieved. The WTAS in its present form or in other configurations has relevance to the measurement of other active ILW and highly active RH waste. Examples include high activity RH LLW and RH TRU (Transuranic) waste as defined in the United States arising from both commercial nuclear and Department of Energy (DOE) operations. The analysis is able to analyse a range of radionuclides beyong those expected in the Magnox FED cases. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Fast Reactor Methods Development Plan

Fast reactor design and safety analysis methods (computer codes) have been under development for approximately sixty years. During the first forty years, code development was driven by the immediate needs of operational facilities such as Experimental Breeder Reactors I and II and the Fast Flux Test Facility. Development was further driven by programmatic needs to support advanced reactor programs such as the Clinch River Breeder Reactor Project and the Advanced Liquid Metal Reactor Program. By the early 1990s, design and safety analysis codes had been well established to addressed the unique characteristics of fast reactors. During the subsequent twenty years, however, development was nearly stagnant as a result of U.S. Government policy changes that abruptly canceled nearly all of the fast reactor research in the United States. As a result, the state of fast reactor design and safety analysis methods has deteriorated.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Scripts for Running Multiple Lines of Evidence Analysis

The software code titled “Scripts for Running Multiple Lunes of Evidence Analysis” enables high throughput network analysis; efficient analysis of large multi-omic networks in order to rank genes by connectivity. This code creates a set of scripts that take omic networks as input as well as list of known genes and calculates scores for all other genes in genome based on connectivity to those genes and does so accurately and efficiently. In addition, it aids the user in performing a validation check of observed data to random. The code outputs a table of all genes in the genome with LOE scores and scores observed data versus random.

Furches, AnnaK.↗

ExaSAT: An exascale co-design tool for performance modeling

One of the emerging challenges to designing HPC systems is understanding and projecting the requirements of exascale applications. In order to determine the performance consequences of different hardware designs, analytic models are essential because they can provide fast feedback to the co-design centers and chip designers without costly simulations. However, current attempts to analytically model program performance typically rely on the user manually specifying a performance model. Here we introduce the ExaSAT framework that automates the extraction of parameterized performance models directly from source code using compiler analysis. The parameterized analytic model enables quantitative evaluation of a broad range of hardware design trade-offs and software optimizations on a variety of different performance metrics, with a primary focus on data movement as a metric. Finally, we demonstrate the ExaSAT framework’s ability to perform deep code analysis of a proxy application from the Department of Energy Combustion Co-design Center to illustrate its value to the exascale co-design process. ExaSAT analysis provides insights into the hardware and software trade-offs and lays the groundwork for exploring a more targeted set of design points using cycle-accurate architectural simulators.

97 MATHEMATICS AND COMPUTING↗

REGAL International Program: Analysis of experimental data for depletion code validation

The Rod-Extremity and Gadolinia AnaLysis (REGAL) Program is a joint international effort to expand the nuclide inventory experimental data for irradiated nuclear fuel, with a specific focus on addressing two challenging needs associated with the characterization of modern, high duty, nuclear fuel. The first challenge is filling the gaps in experimental nuclide inventory data for gadolinia (UO 2 –Gd 2 O 3 ) fuel rods. The huge absorption cross sections of Gd-155 and Gd-157 in the Gd dopant in these rods lead to atypical spatial self-shielding patterns and have an impact on the neutronic environment within the fuel assembly compared to regular UO 2 fuel rods. Additionally, the second challenge is investigating the impact of burnup gradients at rod extremities on fuel composition and neutron leakage, to provide relevant experimental data for assessing computational capabilities to model such impact. A benchmark has been defined as a first step in the development of best-estimate models in the preliminary phase of the experimental data evaluation. Comparison of experimental results obtained in Phase I of the program for two measured pressurized water reactor (PWR) samples, one UO 2 and one UO 2 –Gd 2 O 3 sample, with calculated results obtained with different computational tools based on the defined benchmark are presented and discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

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↗

Construction of a Code Verification Matrix for Heat Conduction With Finite Element Code Applications

When establishing the pedigree of a simulation tool, code verification is used to ensure that the implemented numerical algorithm is a faithful representation of its underlying mathematical model. During this process, numerical results on various meshes are systematically compared to a reference analytic solution. The selection of analytic solutions can be a laborious process, as it is difficult to establish adequate code confidence without performing redundant work. In this report we address this issue by applying a physics-based process that establishes a set of reference problems. In this process, code simulation options are categorized and systematically tested, which ensures that gaps in testing are easily identified and addressed. The resulting problems are primarily intended for code verification analysis but may also be useful for comparison to other simulation codes, troubleshooting activities, or training exercises. The process is used to select fifteen code verification problems relevant for the one-dimensional steady-state heat conduction equation. These problems are applicable to a wide variety of simulation tools, but, in this work, a demonstration is performed using the finite element-based nuclear fuel performance code BISON. Convergence to the analytic solution at the theoretical rate is quantified for a selection of the problems, which establishes a baseline pedigree for the code. Not only can this standard set of conduction solutions be used for verification of other codes, but also the physics-based process for selecting problems can be utilized to quantify and expand testing for any simulation tool.

42 ENGINEERING↗

Verification and Validation of the PLTEMP/ANL Code for Thermal-Hydraulic Analysis of Experimental and Test Reactors

The document compiles in a single volume the verification and validation works done for the PLTEMP/ANL code during the years of its development and improvement. The verification of sixteen capabilities of the PLTEMP/ANL Version 4.3 code that were identified by research reactor analysts as frequently used in their thermal-hydraulic analysis are described and documented. Each chapter of the document deals with the verification or validation of a specific model. The model verification is usually done by comparing the code with hand calculation, Microsoft spreadsheet calculation, or Mathematica calculation. The model validation is done by comparing the code with experimental data or a widely tested code like the RELAP5 code. In addition, some PLTEMP/ANL verification works that are available in the open literature are simply referenced and not included in the document. PLTEMP/ANL has been used in conversion safety analysis reports of several US and foreign research reactors that have been licensed and converted. A list of such reactors is given.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Verification and Validation of the PLTEMP/ANL Code for Thermal-Hydraulic Analysis of Experimental and Test Reactors

The document compiles in a single volume several verification and validation works done for the PLTEMP/ANL code during the years of its development and improvement. Some works that are available in the open literature are simply referenced at the outset, and are not included in the document. PLTEMP has been used in conversion safety analysis reports of several US and foreign research reactors that have been licensed and converted. A list of such reactors is given. Each chapter of the document deals with the verification or validation of a specific model. The model verification is usually done by comparing the code with hand calculation, Microsoft spreadsheet calculation, or Mathematica calculation. The model validation is done by comparing the code with experimental data or a more validated code like the RELAP5 code.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Decoding Resilience by Modeling Outage and Restoration Processes in Distribution Grids: A Pittsburgh Case Study

Climate-induced extreme weather events, such as floods and heatwaves, pose significant challenges to the resilience of urban power distribution grids. This paper examines the outage and restoration dynamics of Pittsburgh's power grid during the flood event in April 2024 and three heatwaves in June, July, and August 2024. We introduce a comprehensive modeling framework that integrates outage and restoration processes, enabling the quantification of resilience metrics, including total customer-hours of power outage, maximum residual values, and restoration durations across various ZIP codes. Our analysis highlights spatial disparities in outage impacts and restoration efficiencies, with ZIP Code 15222 experiencing the highest cumulative disruptions, while ZIP Code 15217 shows lower susceptibility. By linking statistical trends with weather events, this study underscores the critical need for targeted infrastructure upgrades and advanced restoration strategies. Furthermore, the proposed framework offers valuable insights for planning and managing resilient power systems in the face of increasing climate stress.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Report on PTT Imaging of Defects in AM Metallic Materials-Part 2

Metal Additive Manufacturing (AM) is a promising method for cost-efficient fabrication of complex shape structures for applications in harsh environment, such as in a nuclear reactor. However, internal defects (pores) occur in high-strength AM alloys, which are manufactured with Laser Powder Bed Fusion (LPBF) AM method. Pulsed Infrared Thermography (PIT) is an efficient nondestructive evaluation (NDE) method to examine actual structures, because this method offers one-sided non-contact measurements, and fast processing of large sample areas. However, imaging of material defects, particularly defects with sizes at microscopic level, is challenging. In this report, we benchmark the performance of several Unsupervised Learning (UL) algorithms designed to enhance imaging of microscopic defects in metals with PIT. UL aims to learn the latent principal patterns (dictionaries) in PIT data to detect defects with minimal human supervision. Performance of Independent Component Analysis (ICA), Sparse Coding (SC), Principal Component Analysis (PCA) and Exploratory Factor Analysis (EFA) was compared using F-score, UL model training time and defects reconstruction time. We obtained the average F-score of 0.75, and a highest F-score of 0.89 for the EFA algorithm. Overall, EFA outperforms other UL algorithms considered in this study.

36 MATERIALS SCIENCE↗

Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials and Components (Final Technical Report)

Metal Additive Manufacturing (AM) is a promising method for cost-efficient fabrication of complex shape structures for applications in harsh environment, such as in a nuclear reactor. However, internal defects (pores) occur in high-strength AM alloys, which are manufactured with Laser Powder Bed Fusion (LPBF) AM method. Pulsed Infrared Thermography (PIT) is an efficient nondestructive evaluation (NDE) method to examine actual structures, because this method offers one-sided non-contact measurements, and fast processing of large sample areas. However, imaging of material defects, particularly defects with sizes at microscopic level, is challenging. In this report, we benchmark the performance of several Unsupervised Learning (UL) algorithms designed to enhance imaging of microscopic defects in metals with PIT. UL aims to learn the latent principal patterns (dictionaries) in PIT data to detect defects with minimal human supervision. Performance of Independent Component Analysis (ICA), Sparse Coding (SC), Principal Component Analysis (PCA) and Exploratory Factor Analysis (EFA) was compared using F-score, UL model training time and defects reconstruction time. We obtained the average F-score of 0.75, and a highest F-score of 0.89 for the EFA algorithm. Overall, EFA outperforms other UL algorithms considered in this study. In another approach, we investigate Thermal Tomography (TT), which is a computational method for reconstruction of depth profile of internal material defects from PIT nondestructive evaluation (NDE). TT algorithm obtains depth reconstructions of thermal effusivity, which has been shown to provide visualization of subsurface internals defects in metals. In many applications, one needs to determine the defect shape and orientation from reconstructed effusivity images. Interpretation of TT images is non-trivial because of blurring, which increases with depth due to heat diffusion-based nature of image formation. We have developed a deep learning convolutional neural network (CNN) to classify size and orientation of subsurface material defects in TT images. CNN was trained with TT images produced with computer simulations of 2D metallic structures (thin plates) containing elliptical subsurface voids. Performance of CNN was investigated using test TT images developed with computer simulations of plates containing elliptical defects, and defects with shape imported from scanning electron microscopy (SEM) images. CNN demonstrated the ability to classify radii and angular orientation of elliptical defects in previously unseen test TT images. We have also demonstrated that CNN trained on TT images of elliptical defects is capable of classifying shape and orientation of irregular defects. Training the CNN on irregular defect shapes instead of on elliptical shapes would make the resulting classifications more descriptive of actual defect shapes. However, this requires a much higher volume of SEM images of material defects, which are difficult to obtain because of random occurrence of defects in LPBF. To address this challenge, we developed a generative adversarial network (GAN) to augment the existing dataset of SEM defect images. The GAN model is demonstrated to create novel yet realistic defect shapes that can be used as input for simulated PTT images to train CNN. We also investigate several approaches based on Gaussian Random Circle and Bezier Curves for constructing parametric models of irregular-shape defects.

36 MATERIALS SCIENCE↗

RY AQUARIUS A BINARY SYSTEM WITH PULSATING δ-SCUTI PRIMARY COMPONENT

We present simultaneous new BVI light curves along with radial velocity curve analysis of the RY Aqr system, using the PHysics Of Eclipsing BinariEs code. The analysis indicates that while the primary is completely inside its Roche critical surface, the secondary has filled out its Roche surface. In addition, the positions of the system components on M–R, H–R diagrams are specified, which show that the primary is a main-sequence or nearly main-sequence star while the secondary is an evolved subgiant. In addition, analysis of the period and luminosity variations of the system were carried out. Fourier frequency analysis of light variation indicates that the primary is a pulsating, δ-scuti variable star. Moreover, O–C curve analysis shows that the period of the system is secularly decreasing with a rate of dp/dt = 0.074 s yr{sup −1}. This decrease in the orbital period variations was attributed to a mass and angular momentum loss from the system with a rate of 2.57×10{sup −10}M{sub ⊙} yr{sup −1}. Apart from the secular period decreases, the orbital period of the system is modulated by a cyclic period of 72.69 year, which was attributed to a third body orbiting around the barycenter of the system.

79 ASTRONOMY AND ASTROPHYSICS↗