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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

ON THE EFFECTIVENESS OF LLMS IN UNIT TEST GENERATION FOR STRUCTURED TEXT PROGRAMS

The reliability of industrial automation systems heavily depends on the correctness of Programmable Logic Controller (PLC) programs, which are often written in Structured Text (ST). While Large Language Models (LLMs) have shown promise in automating test generation for mainstream programming languages, their effectiveness for the syntactically strict ST language remains underexplored. This thesis presents a systematic empirical evaluation of three state-of-the-art LLMs—GPT-4o, Gemini 2.5 Pro, and Claude Sonnet 4.5—for generating ST unit tests. We examine three prompting strategies: Natural Language (NL), Code Language (CL), and Chain-of-Thought (CoT), across a curated set of 11 ST function blocks. The quality of the generated tests is assessed using Compilation Success Rate (CSR), Statement Coverage (SC), and Branch Coverage (BC). In the zero-shot setting, Claude Sonnet 4.5 achieves the highest CSR, while Gemini 2.5 Pro consistently delivers the best statement and branch coverage, particularly under CL prompts. By incorporating a one-shot CL prompt, all models exhibit substantial improvements—most notably GPT-4o, whose CSR increases from 45.45% to 90.91%, with substantial gains in both SC and BC. To further contextualize these findings, we compare GPT-4o’s one-shot results with PLCAutoTester, a state-ofthe- art ST unit test generation tool, on an additional benchmark dataset. While LLMgenerated tests approach competitive coverage levels, PLCAutoTester maintains significantly higher and more stable coverage across programs. This study provides the first comprehensive benchmark of modern LLMs for ST unit testing, highlighting their strengths, limitations, and improvements through one-shot prompting, and positioning their performance relative to specialized automated testing tools in industrial automation.

42 ENGINEERING↗
DOE OSTI2012

Testing (Validating?) Cross Sections with ICSBEP Benchmarks [Slides]

We discuss how to use critical benchmarks from the International Handbook of Evaluated Criticality Safety Benchmark Experiments to determine the applicability of specific cross sections to the end-user's problem of interest. Particular attention is paid to making sure the selected suite of benchmarks includes the user's range of applicability (ROA).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1995

High Reynolds Number Effects on Multi-Hole Probes and Hot Wire Anemometers

The paper reports on the results from an experimental investigation of the response of multi-hole and hot wire probes at high flow Reynolds numbers (Re approx. 10(exp 6)). The limited results available in literature for 5-hole probes are restricted to Re approx. 10(exp 4). The experiment aims to investigate the probe response (in terms of dimensionless pressure ratios, characterizing pitch, and yaw angles and the total and static pressures) at high Re values and to gauge their effect on the calculated velocity vector. Hot wire calibrations were also undertaken with a parametric variation of the flow pressure, velocity and temperature. Different correction and calibration schemes are sought to be tested against the acquired data set. The data is in the analysis stage at the present time. The test provided good benchmark quality data that can be used to test future calibration and testing methods.

Ramachandran, N.↗
DOE OSTI2020

Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation

This work explores the ability of classical electronic structure methods to efficiently represent (compress) the information content of full configuration interaction (FCI) wave functions. We introduce a benchmark set of four hydrogen model systems of different dimensionalities and distinctive electronic structures: a 1D chain, a 1D ring, a 2D triangular lattice, and a 3D close-packed pyramid. To assess the ability of a computational method to produce accurate and compact wave functions, we introduce the accuracy volume, a metric that measures the number of variational parameters necessary to achieve a target energy error. Using this metric and the hydrogen models, we examine the performance of three classical deterministic methods: (i) selected configuration interaction (sCI) realized both via an a posteriori (ap-sCI) and variational selection of the most important determinants, (ii) an a posteriori singular value decomposition (SVD) of the FCI tensor (SVD-FCI), and (iii) the matrix product state representation obtained via the density matrix renormalization group (DMRG). We find that the DMRG generally gives the most efficient wave function representation for all systems, particularly in the 1D chain with a localized basis. For the 2D and 3D systems, all methods (except DMRG) perform best with a delocalized basis, and the efficiency of sCI and SVD-FCI is closer to that of DMRG. For larger analogs of the models, the DMRG consistently requires the fewest parameters but still scales exponentially in 2D and 3D systems, and the performance of SVD-FCI is essentially equivalent to that of ap-sCI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Benchmark specifications for EBR-II shutdown heat removal tests

Argonne National Laboratory (ANL) is hosting an IAEA-coordinated research project on benchmark analyses of sodium-cooled fast reactor passive safety tests performed at the Experimental Breeder Reactor-II (EBR-II). The benchmark project involves analysis of a protected and an unprotected loss of flow tests conducted during an extensive testing program within the framework of the U.S. Integral Fast Reactor program to demonstrate the inherently safety features of EBR-II as a pool-type, sodium-cooled fast reactor prototype. The project is intended to improve the participants' design and safety analysis capabilities for sodium-cooled fast reactors through validation and qualification of safety analysis codes and methods. This paper provides a description of the EBR-II tests included in the program, and outlines the benchmark specifications being prepared to support the IAEA-coordinated research project. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Performance Assessment of a New Gamma Spectroscopy Toolkit: Peak Doctor and the Spectral Nondestructive Assay Platform (SNAP) - 17397

High resolution gamma spectroscopy (HRGS) is a widely used technique for non-destructive characterization of nuclear materials, and assay of radioactive waste. The ability to accurately evaluate raw spectral data is an important step in producing high-quality results. A spectral analysis application known as Peak Doctor has been developed under a Cooperative Research and Development Agreement (CRADA) between LANL and Pajarito Scientific Corporation (PSC). The software has undergone several years of testing and validation by the Radioactive Waste Characterization Team of the LANL Waste Management Services Group (WM-SVS). PeakDoctor is designed to work with the Spectral Nondestructive Assay Platform (SNAP{sup TM}) to provide a complete HRGS analysis engine. SNAP{sup TM} performs model specific corrections for attenuation and geometry. These applications are the major components of a new toolkit designed primarily for portable far-field non-destructive assay. Peak Doctor performs a very accurate peak fit analysis with the goal of improving upon the capabilities of existing commercially available routines. It is designed to be user-configurable and can be customized to any given type of detector and any given type of spectrum. Peak Doctor was developed to resolve many of the inherent complexities in gamma ray spectra including overlapping peaks, complex multiplet regions, large step peaks, backscatter regions and Compton edges. Unlike most spectral analysis platforms, Peak Doctor does not rely on the energy calibration and detector resolution parameters that are saved by the operator in the spectrum file. Instead, key parameters are pre-defined for individual detectors. The software fits a continuum using a series of splines between a series of junctions or 'knots'. Fitting techniques are used to join the splines together to create a near-continuous multi-element curve. Optimizing the location of the knots is one of Peak Doctor's most powerful features. The knots are initially configured using a pre-defined list and are removed or added automatically during the fitting process. Knots are also created when new features are identified such as Step Peaks and Compton Edges. The user can also manually specify knots in order to improve the continuum fit. The initial fit is improved on by removing any outlier regions (which are converted to peaks) and the continuum fitting process is repeated. At this stage, an experienced user can work interactively with the fit by manually converting peak regions to continuum or vice versa. The final step is to fit a series of peaks above the continuum based on detector parameters. Single and multiplet peaks are then processed by either the tailing (piecewise) or non-tailing (Gaussian) Levenberg Marquardt non-linear peak fitting routine depending on the user defined selection. Only a rough knowledge of the detector characteristics (energy calibration and resolution) is required for the fitting process to proceed with good accuracy. Any peaks that are missed can be manually added by the user and will also be fitted. Discontinuities in the peak / continuum fit can be rapidly identified by reviewing the 'residuals scale' plot. For waste streams that are well characterized, it is often the case that routinely encountered spectra will have similar peaks and continuum features. For these cases a handy 'One Step' method is available that proceeds in an automated fashion without user interaction. Peak Doctor has been configured with a set of default spectrum types including plutonium / transuranic waste (including Weapons Grade Pu, Heat Source Pu, Am-241, Am-243 and Np-237), depleted or enriched uranium, nuclear power plant / intermediate level waste (with fission and activation products such as Cs-137 and Co-60) as well as Naturally Occurring Radioactive Materials (NORM). The user can easily add new spectrum types for specific waste streams or other types of radiological / special nuclear materials. The output from PeakDoctor (including net peak area, centroid energy and a list of minimum detectable activity levels at pre-defined regions) is used by SNAP{sup TM} to complete the data analysis process. Isotope activities are calculated using configurable template-driven geometry and attenuation correction methods. The software accounts for matrix and container wall effects, collimator / angular corrections, detector efficiency (based on calibration curves) and stand-off distance. SNAP{sup TM} uses published algorithms incorporating a series of decision points during its operation to allow the analyst to provide logical input to guide the software during the analysis of each unique spectrum. The Peak Doctor / SNAP{sup TM} toolkit has been extensively tested and validated under a variety of conditions using 'benchmark' reference spectra. Test scenarios reported include HPGe-based measurements of well characterized uranium and plutonium standards and radioactive sources with a variety of different geometries and matrix materials including surrogate drums and boxes. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1988

Space station operating system study

The current phase of the Space Station Operating System study is based on the analysis, evaluation, and comparison of the operating systems implemented on the computer systems and workstations in the software development laboratory. Primary emphasis has been placed on the DEC MicroVMS operating system as implemented on the MicroVax II computer, with comparative analysis of the SUN UNIX system on the SUN 3/260 workstation computer, and to a limited extent, the IBM PC/AT microcomputer running PC-DOS. Some benchmark development and testing was also done for the Motorola MC68010 (VM03 system) before the system was taken from the laboratory. These systems were studied with the objective of determining their capability to support Space Station software development requirements, specifically for multi-tasking and real-time applications. The methodology utilized consisted of development, execution, and analysis of benchmark programs and test software, and the experimentation and analysis of specific features of the system or compilers in the study.

Horn, Albert E.↗
DOE OSTI2023

RELAP5-3D Solutions to Exercise 1 of the OECD-NEA HTTF Benchmark

Discussion of RELAP5-3D solutions to Exercise 1 of the OECD-NEA High Temperature Test Facility (HTTF) Benchmark. Results from ongoing benchmark activities supported by the Advanced Reactor Technologies - Gas-Cooled Reactor Program with use of the High Performance Computing Center at Idaho National Laboratory. Also discussion of Ultra Safe Nuclear Corporation and BWXT plans for the decade, and issues of modern thermal hydraulic tools for prismatic HTGR modeling. Open discussion of verification and validation and ART-GCR campaign to spearhead the development of an HTGR thermal hydraulics benchmark based on the HTTF.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Beam-target double-spin asymmetry in quasielastic electron scattering off the deuteron with CLAS

The deuteron plays a pivotal role in nuclear and hadronic physics, as both the simplest bound multinucleon system and as an effective neutron target. Quasielastic electron scattering on the deuteron is a benchmark reaction to test our understanding of deuteron structure and the properties and interactions of the two nucleons bound in the deuteron. The experimental data presented here can be used to test state-of-the-art models of the deuteron and the two-nucleon interaction in the final state after two-body breakup of the deuteron. Focusing on polarization degrees of freedom, we gain information on spin-momentum correlations in the deuteron ground state (due to the D-state admixture) and on the limits of the impulse approximation (IA) picture as it applies to measurements of spin-dependent observables like spin structure functions for bound nucleons. Information on this reaction can also be used to reduce systematic uncertainties on the determination of neutron form factors or deuteron polarization through quasielastic polarized electron scattering. Furthermore, we measured the beam-target double-spin asymmetry (A || ) for quasielastic electron scattering off the deuteron at several beam energies (1.6–1.7, 2.5, 4.2, and 5.6–5.8GeV), using the CEBAF Large Acceptance Spectrometer (CLAS) at the Thomas Jefferson National Accelerator Facility. The deuterons were polarized along (or opposite to) the beam direction. The double-spin asymmetries were measured as a function of photon virtuality Q 2 (0.13–3.17(GeV/c) 2 ), missing momentum (p m =0.0–0.5GeV/c), and the angle between the (inferred) spectator neutron and the momentum transfer direction (θ nq ). We compare our results with a recent model that includes final-state interactions (FSI) using a complete parametrization of nucleon-nucleon scattering, as well as a simplified model using the plane wave impulse approximation (PWIA). We find overall good agreement with both the PWIA and FSI expectations at low to medium missing momenta (p m ≤0.25GeV/c), including the change of the asymmetry due to the contribution of the deuteron D state at higher momenta. At the highest missing momenta, our data clearly agree better with the calculations including FSI. Final-state interactions seem to play a lesser role for polarization observables in deuteron two-body electrodisintegration than for absolute cross sections. Our data, while limited in statistical power, indicate that PWIA models work reasonably well to understand the asymmetries at lower missing momenta. In turn, this information can be used to extract the product of beam and target polarization (P b P t ) from quasielastic electron-deuteron scattering, which is useful for measurements of spin observables in electron-neutron inelastic scattering. But, at the highest missing (neutron) momenta, FSI effects become important and must be accounted for.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

FY 2014 Status Report: of Vibration Testing of Clad Fuel (M4FT-14OR0805033)

The DOE Used Fuel Disposition Campaign (UFDC) tasked Oak Ridge National Laboratory (ORNL) to investigate the behavior of light-water-reactor (LWR) fuel cladding material performance related to extended storage and transportation of UNF. ORNL has been tasked to perform a systematic study on UNF integrity under simulated normal conditions of transportation (NCT) by using the recently developed hot-cell testing equipment, Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT). To support the testing on actual high-burnup UNF, fast-neutron irradiation of pre-hydrided zirconium-alloy cladding in the High Flux Isotope Reactor (HFIR) at elevated temperatures will be used to simulate the effects of high-burnup on fuel cladding for help in understanding the cladding materials properties relevant to extended storage and subsequent transportation. The irradiated pre-hydrided metallic materials testing will generate baseline data to benchmark hot-cell testing of the actual high-burnup UNF cladding. More importantly, the HFIR-irradiated samples will be free of alpha contamination and can be provided to researchers who do not have hot cell facilities to handle highly contaminated high-burnup UNF cladding to support their research projects for the UFDC.t

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Verification and Validation Activities of Molten Salt Reactors Multiphysics Coupling Schemes at Idaho National Laboratory

This paper presents the latest verification and validation activities in molten salt reactor modeling and simulation performed at Idaho National Laboratory. Multiphysics solutions are obtained by coupling the neutronics code Griffin, the thermal hydraulics code Pronghorn, and the system analysis code SAM, under the MOOSE framework. We present various multiphysics coupling schemes with these codes for molten salt reactor problems and provide verification and validation results. First, we present verification test results of the Griffin-Pronghorn coupled scheme for the CNRS benchmark. Then validation test results are presented for the Griffin-SAM coupled scheme for the pump startup and coast down transients of the Molten Salt Reactor Experiment. Finally, the Griffin-Pronghorn-SAM coupled scheme is demonstrated for the Molten Salt Reactor Experiment reactivity insertion transient using a domain-overlapping coupling algorithm between Pronghorn and SAM. The results of these various coupling schemes demonstrate the ability to capture the effect of fuel flow and the various feedback mechanisms important to MSRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Improved Quasi-Static Method with Step Doubling Time Adaptation

The imminent restart of the Transient Reactor Testing Facility (TREAT) at Idaho National Laboratory (INL) has brought significant attention to the development of transient reactor modeling. TREAT was designed to subject fuels and other reactor components to various degrees of neutron pulses, from minor transients to accident scenario. Inherently, this task requires predicting pulse responses due to various control rod movements; which is a complicated endeavor. Originally, this was done using an iterative process of rod movements and measuring the resulting response. With the advances in computer modeling, the current goal, preceding the restart, is to use simulation to characterize responses before experiments take place. However, neutron transient modeling is extremely computationally expensive due to the required implicit time-stepping. Therefore, methods that mitigate computation time, with minimal detriment to accuracy, are highly desired. This paper will describe the improved quasi-static method (IQS), which hopes to decrease computation time significantly from traditional 'brute force' transient methods. IQS is a spatial kinetics method that involves factorizing the flux solution into time-dependent amplitude and space- and time-dependent shape. The impetus of the method is the assumption that shape is weakly time-dependent, so expensive space-dependent evaluations are only required on large time steps. While inexpensive amplitude evaluations are performed on much smaller time steps to retain accuracy. IQS has been tested extensively on kinetics benchmarks with constant time steps. However, to test it's viability for TREAT simulations, evaluating IQS's performance with time adaptation is required. The rest of this paper will briefly describe the derivation of IQS, the time adaptation technique used, and results from a kinetic benchmarks. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

International Benchmarking: A Global Perspective of Workplace Drug and Alcohol Testing

Workplace drug and alcohol testing has been widely implemented in diverse industries and is designed to detect the use of and deter the influence of legal and illegal substances that would impair the ability to perform work that has significant security and safety implications. Across the globe, patterns of drug and alcohol use and abuse and the regulations controlling drug and alcohol use vary by location (e.g., regions, countries, etc.). The prevalence of workplace drug and alcohol testing and protection of individuals’ rights in the workplace similarly tend to exhibit contextual differences. With the advancements in drug-testing technologies and the recent issuance of guidance for additional testing matrices (e.g., oral fluid, hair, etc.) by the U.S. Department of Health and Human Services, gaining a global perspective on the current state of drug and alcohol testing practices and regulations is important for leveraging such advancements to improve the effectiveness of drug and alcohol testing. The U.S. Nuclear Regulatory Commission (NRC) tasked the Pacific Northwest National Laboratory (PNNL) fitness for duty (FFD) team to conduct a benchmarking analysis of international drug and alcohol testing regulations and programs to identify similarities and differences in workplace testing programs and the basis for any differences. The benchmarking study focuses on a policy analysis and benchmarking metrics comparison among different countries and regions. The policy analysis includes the following three types of relevant international and national policies relevant to drug and alcohol testing in the nuclear industry: 1. National drug and alcohol policy 2. Workplace drug and alcohol testing 3. FFD regulations for Nuclear Power Plants The international drug and alcohol benchmarking metrics focusses on the use of blood, breath, urine, hair, and oral fluid in testing; drug and drug metabolite cutoff values; point-of-collection testing devices; roadside testing methodologies; innovations in drug testing; and the extent of availability of such data. Gaining an understanding of workplace drug and alcohol testing in other countries as well as information about new testing methods, matrices, tools, and technologies that other countries have adopted provides NRC with international comparative information regarding the technical basis for such programs and methods as it relates to the protection of worker and public health and safety.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS2003

Reference Gauging System for a Small-Scale Liquid Hydrogen Tank

A system to accurately weigh the fluid contents of a small-scale liquid hydrogen test tank has been experimentally verified. It is intended for use as a reference or benchmark system when testing lowgravity liquid quantity gauging concepts in the terrestrial environment. The reference gauging system has shown a repeatable measurement accuracy of better than 0.5 percent of the full tank liquid weight. With further refinement, the system accuracy can be improved to within 0.10 percent of full scale. This report describes the weighing system design, calibration, and operational results. Suggestions are given for further refinement of the system. An example is given to illustrate additional sources of uncertainty when mass measurements are converted to volume equivalents. Specifications of the companion test tank and its multi-layer insulation system are provided.

VanDresar, Neil T.↗
DOE OSTI2020

Tracking Radioactive Isotopes in HVAC and Application for Hot Cell Analyses - 20155

In recent years, the surge in the number of isotope production facilities under design has increased the need to analyze isotope migration in facility Heating, Ventilation, and Air Conditioning (HVAC) during normal operations and accident scenarios. These facilities are used to produce isotopes for medical, security, and industrial applications and as such are subject to license and regulatory requirements 10CFR20, 10CFR30, 10CFR50, and 10CFR70. GOTHIC, a general-purpose thermal-hydraulics software package, includes the ability to model isotopic tracers, radioactive decay and isotope migration as well as HEPA and charcoal filters for isotope retention. A GOTHIC model was developed by Zachry Nuclear Engineering (ZNE) to examine the effect of negative room pressure, HEPA filtration, and HVAC fluctuations on radiation areas, hot cells and gloveboxes. Radioactive tracers were used to simulate the concentration of spills within contaminated areas, track the migration of isotopes of interest, and determine the isotopic retention and buildup on facility HEPA filters. A variety of isotopes with concern to dose (e.g., Kr-85, Sr-90, I-131, etc.), including their decay and progeny, are included in the analysis. Negative pressures are maintained in the regions of interest by a representative central HVAC system equipped with a volumetric fan that exhausts to the environment after a series of isolation valves and HEPA filters. GOTHIC is an industry trusted tool for providing engineering solutions for a variety of applications, including fission product tracking, aerosol and particulate transport and ventilation assessments. The software provides an integrated analysis environment that includes a graphical user interface (GUI) for constructing analysis models, a numerical solver that includes parallel processing capabilities and a post-processor for evaluating simulation results. It solves the conservation equations for mass, momentum and energy for multicomponent, multi-phase flow in lumped parameter and multi-dimensional geometries (1, 2, or full 3D), including the effects of turbulence, diffusion and buoyancy. It has been developed and maintained under a Quality Assurance program in compliance with the requirements of 10CFR50 Appendix B and applicable portions of ASME NQA-1 since 1995. GOTHIC has been used for assessing both forced and natural convection conditions for a wide range of applications, including: - Tracking concentration of hazardous gases and chemicals for habitability and safety assessments - Determining ventilation and filtration requirements and optimizing location and arrangement of these systems - Room heat-up, including diverse and Flexible coping strategies for Extended Loss of AC Power (FLEX/ELAP) - Equipment Qualification (EQ) A distinctive feature of GOTHIC is the ability to track many different fields/substances in a simulation, including user defined tracer elements, in the liquid, vapor and droplet fields as well as surfaces and filters. This capability allows GOTHIC to model fission product transport and release or the removal of particulates or harmful toxins from exhaust gases using a spray scrubber or other types of filtration systems. GOTHIC also includes models for engineered equipment, such as fans, filters, charcoal filters, dryers/demisters, dampers, etc. The aerosols and other filtered material are removed or accumulated in these components. The range of aerosol and radiological applications that GOTHIC has been used for includes: - Source Term: Primary Coolant (Equilibrium) Activity; Non-Water Coolant Source/Leakage. - Conditions for Iodine Re-evolution: Sump/Suppression Pool Conditions and pH; - RWST Conditions and pH. - Isotope Removal Mechanisms: Containment Sprayed and Unsprayed Region Mixing; Charcoal Filter Heating due to Iodine decay. - Radionuclide Transport and Decay: Post-LOCA Release in containment; Transport between connected Compartments and vent systems; Groundwater transport of radionuclides. - Non-Newtonian Fluid modeling for sludge, waste tanks, etc. ADAMS ML071581053 (titled 'Best Practice Guidelines for the use of CFD in Nuclear Reactor Safety Applications') poses guidelines for applying single phase CFD codes in nuclear reactor safety problems and GOTHIC is listed as a 'tool for 3D flows' and 'dispersal and deposition of radionuclides.' The Nuclear Quality Assurance (NQA) pedigree of GOTHIC is an important aspect for applications in the nuclear industry. The fundamental tracer models (convective transport, molecular and turbulent diffusion, removal mechanisms, etc.) have been verified using analytical solutions and validated against applicable separate effects tests. Also, GOTHIC has been benchmarked to many integrated effects tests, including Phebus FP (Fission Product). GOTHIC gives good agreement for the buildup and decay of fission products in Phebus Test 3. The model developed by ZNE demonstrates GOTHIC's applicability and acceptability for use in analyzing the migration and retention of radioactive isotopes and their progeny in normal operation and accident scenario analyses for isotope production facilities, hot cells, and gloveboxes. The tracer activities calculated by GOTHIC can then be used in downstream radiation transport and shielding codes like RADTRAD-NAI{sup C}, MCNP{sup R}, and MicroShield{sup R} to determine on-site and of-site doses. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Benchmark Modeling and Simulation of the FFTF LOFWOS Test #13 Using SAM

The Fast Flux Test Facility (FFTF) was a 400 MW thermal powered, oxide-fueled, liquid sodium cooled test reactor, built to assist development and testing of advanced fuels and materials for fast breeder reactors. In July 1986, a series of unprotected Loss of Flow Without Scram (LOFWOS) transients were performed in FFTF as part of the Passive Safety Testing (PST) program. The LOFWOS Test #13, which was initiated at 50% power and 100% flow with the pump pony motors left off, has been chosen as a benchmark case by IAEA to support collaborative efforts within international partnerships on the validation of simulation tools and models in the area of sodium fast reactor passive safety in an IAEA Coordinated Research Project (CRP), launched in October 2018. The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR safety analysis. It utilizes the object-oriented application framework MOOSE to leverage the modern software environment and advanced numerical methods. The capabilities of SAM are being extended to enable the transient modeling, analysis, and design of various advanced nuclear reactor systems. To participate the IAEA CRP and enhance the SAM validation base for advanced reactor transient safety analysis, benchmark simulations of the FFTF LOFWOS Test #13 are performed using the SAM code. In this first phase of the validation effort, the thermal-hydraulic behavior of the reactor system is the focus and the reactor kinetics is not considered in the SAM FFTF model. Instead, the results of Argonne’s neutronics calculations are directly used, including the power shape of the active core region and the power history during the transient. The simulation results of FFTF at steady state agreed well with the measured data from the test. During the transient, reasonably good agreement were also obtained. Future work to improve the model will focus on introducing the reactivity predictions into the model, as well as better understanding or resolving the current discrepancies with the measured data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Benchmark Electronic Structure Calculations for H 3 O + (H 2 O) n , n = 0–5, Clusters and Tests of an Existing 1,2,3-Body Potential Energy Surface with a New 4-Body Correction

We report a revision of a previously developed many-body (up to 3-body inter- actions) CCSD(T)-based potential energy surface (PES) for the hydrated proton and its extension that incorporates a simple 4-body term for the hydronium-water-water-water interactions. The new PES is parametrized from and tested against new extensive benchmark CCSD(T) Complete Basis Set (CBS) estimates of the binding energies of H3O+(H2O)n clusters, n=0-5, which include all known to date low-lying energy isomers. We report the energetics, structures and harmonic frequencies of the hydronium-water clusters using the PES and compare them against the new benchmarks as well as other best available ab initio results. This critical comparison demonstrates the high accuracy of the new many-body hydronium-water PES.

Heindel, Joseph P.↗