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DOE OSTI2025

A Parameter-masked Mock Data Challenge for Beyond-two-point Galaxy Clustering Statistics

The past few years have seen the emergence of a wide array of novel techniques for analyzing high-precision data from upcoming galaxy surveys, which aim to extend the statistical analysis of galaxy clustering data beyond the linear regime and the canonical two-point (2pt) statistics. We test and benchmark some of these new techniques in a community data challenge named “Beyond-2pt,” initiated during the Aspen 2022 Summer Program “Large-Scale Structure Cosmology beyond 2-Point Statistics,” whose first round of results we present here. The challenge data set consists of high-precision mock galaxy catalogs for clustering in real space, in redshift space, and on a light cone. Participants in the challenge have developed end-to-end pipelines to analyze mock catalogs and extract unknown (“masked”) cosmological parameters of the underlying ΛCDM models with their methods. The methods represented are density-split clustering, nearest neighbor statistics, BACCO power spectrum emulator, void statistics, LEFTfield field-level inference using effective field theory (EFT), and joint power spectrum and bispectrum analyses using both EFT and simulation-based inference. In this work, we review the results of the challenge, focusing on problems solved, lessons learned, and future research needed to perfect the emerging beyond-2pt approaches. The unbiased parameter recovery demonstrated in this challenge by multiple statistics and the associated modeling and inference frameworks supports the credibility of cosmology constraints from these methods. The challenge data set is publicly available, and we welcome future submissions from methods that are not yet represented.

Krause, Elisabeth [Univ. of Arizona, Tucson, AZ (U↗
DOE OSTI2025

SIDM Concerto: Compilation and Data Release of Self-interacting Dark Matter Zoom-in Simulations

We present SIDM Concerto: 14 cosmological zoom-in simulations in cold dark matter (CDM) and self-interacting dark matter (SIDM) models based on the Symphony and Milky Way-est suites. SIDM Concerto includes one Large Magellanic Cloud– (LMC-) mass system (host mass ∼10 11 M ⊙ ), two Milky Way (MW) analogs (∼10 12 M ⊙ ), two group-mass hosts (∼10 13 M ⊙ ), and one low-mass cluster (∼10 14 M ⊙ ). Each host contains ≈2 × 10 7 particles and is run in CDM and one or more strong, velocity-dependent SIDM models. Our analysis of SIDM (sub)halo populations over seven subhalo mass decades reveals that (1) the fraction of core-collapsed isolated halos and subhalos peaks at a maximum circular velocity corresponding to the transition of the SIDM cross section from a v −4 to v 0 scaling; (2) SIDM subhalo mass functions are suppressed by ≈50% relative to CDM in LMC, MW, and group-mass hosts but are consistent with CDM in the low-mass cluster host; (3) subhalos’ inner density profile slopes, which are more diverse in SIDM than in CDM, are sensitive to both the amplitude and shape of the SIDM cross section. Our simulations provide a benchmark for testing SIDM predictions with astrophysical observations of field and satellite galaxies, strong lensing systems, and stellar streams. Data products are publicly available at doi:10.5281/zenodo.14933624.

dark matter↗
DOE OSTI2024

Investigation of the \(\gamma \)-ray Properties of the \(2^+\) States in \(^{14}\)C

The properties of the 2$^+_1$ and 2$^+_2$ excited states in 14 C were studied in an experiment conducted at Argonne National Laboratory. A 9 Be( 6 Li,pγ) fusion-evaporation reaction and the GRETINA-ORRUBA setup were employed to populate states of 14 C and detect γ-particle coincidence events. Finally, the precise determination of the 2$^+_1$ level energy, complemented by the estimation of the γ-ray branch of the 2$^+_2$ near-threshold state, will serve as a benchmark to test the Shell Model Embedded in the Continuum calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

An Orthogonal Recursive Bisection (ORB) Based Time Advancement Algorithm for CFD-DEM Solvers

The time integration of the granular phase in coupled computational fluid dynamics (CFD) – discrete element method (DEM) simulations presents a unique computational challenge brought about by the large variations in particle collisional time scales. Particles in the dilute regions of the computational domain can be advanced with large time steps while dense regions require much smaller time increments. However, the time step size in most solvers is globally set as the limit for accuracy and stability imposed by the collisions and is typically orders of magnitude less than that required away from collisions. This work addresses this precise issue and provides a strategy to avoid the use of a global conservative small time step size for the entire set of particles.A novel time stepping algorithm for CFD-DEM solvers using a partitioning approach using orthogonal recursive bisection (ORB) that allows for variable time steps among particles is described and its computational performance is compared against baseline explicit methods, typically used in several CFD-DEM solvers. ORB has advantages of being relatively quick and easy to update incrementally and has the required heuristic behavior (i.e., it will split the region in half with a cluster on each side) when groups of particles are well separated (clustered). The algorithm presented in this work uses a local time stepping approach to resolve collisional time scales for subsets of particles that are present at the leaves of the ORB, thereby resulting in substantial reduction of computational cost. The parallel implementation of this method where a ``knapsack” algorithm is used in tandem with ORB for effective load-balancing is also presented, where a best possible partitioning is obtained based on number of particles and local time-stepping costs. The algorithm is tested against benchmark problems with varying particle distributions that include fluidized bed and riser flow scenarios. Preliminary results indicate that the approach is 2-3X faster than traditional explicit methods for problems that involve both dense and dilute regions, while maintaining the same level of accuracy.

adaptive timestepping↗
DOE OSTI2025

Updates to the HTR-PROTEUS HALEU Benchmark Using Modern Analysis Methodologies

The HTR-PROTEUS IRPhEP Handbook benchmarks represent some of the highest quality benchmarks available for systems with TRISO-HALEU fuel, graphite pebbles, graphite reflector, and high neutron leakage. Nevertheless, significant variability in computed eigenvalue results was encountered in HTR-PROTEUS configurations that are relevant for transportation configurations. The team will investigate the source of these variabilities in the original benchmark. In addition, the team will investigate the HTR-PROTEUS subcritical measurements, kinetics data, and potential criticality effects from the introduction of hydrogen in the system (water ingress). The project will generate a benchmark evaluation of additional HTR-PROTEUS measurements that can significantly increase the value of these criticality benchmarks in testing nuclear codes and data to support transportation validation needs for industry and the U.S. NRC.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Spin Splitting Energy of Transition Metals: A New, More Affordable Wave Function Benchmark Method and Its Use to Test Density Functional Theory

Accurately predicting the spin splitting energy of chemical species is important for understanding their reactivity and magnetic properties, but it is very challenging, especially for molecules containing transition metals. One impediment to progress is the scarcity of accurate benchmark data. Here we report a set of calculations designed to yield reliable benchmarks for simple transition-metal complexes that can be used to test density functional methods that are affordable for large systems of more practical interest. Various wave function methods are tested against experiment for Fe 2+ , Fe 3+ , and Co 3+ , including CASSCF, CASPT2, CASPT3, MRCISD, MRCISD+Q, ACPF, AQCC, CCSD(T), and CASPT2/CCSD(T) and also a new method called CASPT2.5, which is performed by taking the average of the CASPT2 and CASPT3 energies. Furthermore, we find that MRCISD+Q, ACPF, and AQCC require smaller active spaces for good accuracy than are required by CASPT2 and CASPT3, and this aspect may be important for calculations on larger molecules; here we find that CASPT2.5 extrapolated to a complete basis set is the most suitable method—in terms of computational cost and in terms of accuracy on monatomic systems—and therefore we chose this method for molecular benchmarks. Then Kohn–Sham density functional calculations with 60 exchange-correlation functionals are tested for FeF 2 , FeCl 2 , and CoF 2 . We find that MN15-L, M06-SX, and revM06 have very good agreement with CASPT2.5 benchmarks in terms of both the spin splitting energy and the optimized geometry for each spin state. In addition, we recommend def2-TZVP as the most suitable basis set to perform density functional calculations for molecular spin splitting energies; extra polarization functions in the basis set do not help to increase the accuracy of the spin splitting energy in KS calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

TRIPOLI-4 neutronics calculations for IAEA-CRP benchmark of CEFR start-up tests using new libraries JEFF-3.3 and ENDF/B-VIII

Sodium-cooled Fast Reactors (SFR) are one of the promising Generation IV fast reactors. The China Experimental Fast Reactor (CEFR) is a 65 MWth pool-type SFR with a high neutron leakage core using high enriched uranium oxide fuel. The CEFR start-up tests in 2010 consist of series of neutronics experiments. Essential experimental data are available from the 2018 IAEA-CEFR-CRP benchmark document and useful for the validation of neutron transport codes and nuclear data libraries. The TRIPOLI-4 Monte Carlo transport code is a general-purpose neutronics code using continuous-energy nuclear data libraries. It has a rich validation database covering different computational and experimental benchmark data sets to assure the accuracy and credibility of numerical studies. Previous TRIPOLI-4 SFR core physics calculations used mainly MOX fuels. SFR control rod worth studies with TRIPOLI-4 were mainly on big-size cores. To test the modeling capability of TRIPOLI-4 on fuel loading patterns and on variable control rods positions for SFRs and to check recent nuclear data libraries, it is interesting to investigate the CEFR start-up tests in this work, including core states from subcritical to supercritical, control rods and rod group worth, point kinetics parameters, and radial foil activation measurements. TRIPOLI-4 calculation results using new data libraries JEFF-3.3, ENDF/B-VIII, and those of ENDF/B-VII.1 for different CEFR core states are reported here. By means of different options of TRIPOLI-4, control-rod SAs reactivity worth, point kinetics parameters, and radial {sup 237}Np(n,f) fission rate distribution were successfully evaluated. Both ENDF/B-VIII and JEFF-3.3 nuclear data libraries provided reliable results with a difference of 170 +/- 11 pcm in k{sub eff}.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
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 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 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 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 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↗
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 OSTI2020

Preliminary Study on TRISO Fuel Cross Section Generation

Cross section self-shielding methodologies for TRISO fuel were assessed to provide accurate multigroup cross sections for a high-fidelity reactor physics code so that the code is able to accurately model and simulate advanced reactors with TRISO fuel. Initially, the two existing methodologies (the SCALE method and the Sanchez-Pomraning method) were studied and implemented to MC2-3 for detailed performance tests. Additionally, a new spatial self-shielding method, named the iterative local spatial self-shielding (ILSS) method, for particulate fuels was developed based on the disadvantage factor and implemented to MC2-3 as well. The new method approximately accounts for the effect of randomly distributed particles on the particle shadowing effect using a homogenized compact region surrounding a particle of interest at the center. The self-shielded cross sections of the particle at the center are determined iteratively since the cross sections of the homogenized compact region are calculated using them. For the energy range above 100 keV where the fuel-to-moderator ratio is more important than the random distribution of particles, a single particle unit-cell model is used by preserving the average amount of moderator per fuel particle in the system. The three self-shielding methods implemented in MC2-3 were tested using numerical benchmark problems made based on fuel compact problems of a prismatic-type very high temperature reactor. Test results indicated that the ILSS method produced slightly better results than the SCALE and Sanchez-Pomraning methods, compared to the Serpent-2 Monte Carlo results obtained with 25 independent random particle configurations. The SCALE and Sanchez-Pomraning methods tend to underestimate the heterogeneity effect by 150 and 100 pcm, respectively, while the new ILSS method overestimates the heterogeneity effect by 70 pcm. In future, the new self-shielding method will be extended to perform pebble calculations and compare results with those from the SCALE and Sanchez-Pomraning methods. Furthermore, the new method will be optimized for practical applications to on-the-fly resonance treatment for lattice or whole-core calculations for advanced reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Crystalline Silicotitanate Batch Contact Testing with Ba, Ca, Pb, and Sr

Washington River Protection Solutions is working to support initial production of immobilized low-activity waste (LAW) by feeding Hanford tank supernate from tank farms to the Hanford Waste Treatment and Immobilization Plant (WTP) LAW Facility. This goal incorporates the design of a Tank Side Cesium Removal system, which filters tank waste supernate to remove suspended solids and then removes Cs by processing it through crystalline silicotitanate (CST) ion exchange media manufactured by Honeywell UOP, LLC. The 137 Cs-depleted product is intended to be sent to the WTP for vitrification. Processing of actual tank waste supernate showed effectively complete uptake of Sr and Ba by CST and significant uptake of Ca. Further, Campbell et al. (2019) analyzed CST post-column testing and found significant (>1E-2 mmoles/g) uptake of Ca and Pb along with some Ba, Cd, Fe, Sr, and U. This led to concern that selected metals, particularly the +2 cations, Ca, Sr, Ba, and Pb may be consuming Cs exchange sites and possibly reducing CST capacity for Cs. Exchange of +2 cations was assumed to be associated with the M(OH) + species for the metal (M) ion in the caustic solution. A series of batch contact testing was conducted to evaluate the exchange behavior of Ba, Ca, Pb, and Sr onto CST. The Cs exchange behavior was also tested as a benchmark for direct comparisons. The CST was provided in the sodium form by Honeywell UOP, as IONSIV TM R9140-B, Lot 2002009604, 18 x 50 mesh. A <30-mesh aliquot was collected to match the sieve fraction expected for use in upcoming small column test configurations. Kinetic exchange rate and isotherms were measured at metal concentrations benchmarked from the AP-107 tank waste feed composition and as limited by the metal solubility in the alkaline solution. Two simplified matrices were tested: 1) 1.0 M NaOH/4.6 M NaNO 3 and 2) 0.1 M NaOH/5.5 M NaNO 3 ; these matrices represented the expected 5.6 M Na concentration of process feed and served to address the hydroxide concentration effect on exchange behavior.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Integral Experiment Final Design for Thermal/Epithermal eXperiments (TEX) using Highly Enriched Uranium with Polyethylene at Low Temperature (IER-479 CED-2 Report)

The goal of IER-479 is to design uranium critical experiments that can be used to validate low temperature cross sections and criticality safety analyses over multiple neutron energy regimes. Currently, there are no benchmarks in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) handbook at temperatures lower than room temperature (International Criticality Safety Benchmark Evaluation Project Handbook, 2019). However, there are many needs for validation of criticality safety analysis at lower temperatures, including meeting transportation requirements and operations conducted outside or in unheated facilities. Additionally, NCSP has funded North Carolina State (NCSU) to generate new thermal scattering laws, including at lower temperatures, and the lack of integral benchmarks impedes data testing of these new cross sections. To address these needs, this report will present a critical experiment design covering various fission energy regimes with a goal temperature of -40°C (-40°F), which is based on the lower bound of expected non-cryogenic operational temperatures. The goal of the U.S. Nuclear Criticality Safety Program’s (NCSP) Thermal/Epithermal eXperiments (TEX) is to design and conduct new critical experiments to address high priority nuclear data needs from the nuclear criticality safety and nuclear data communities. The TEX program includes two series of baseline experimental configurations, one based on plutonium fuel (plutonium-aluminum Zero Power Physics Reactor (ZPPR) plates) and the other based on uranium fuel (highly enriched uranium (HEU) plates), that are moderated with varying thickness of polyethylene to create assemblies which span the thermal, intermediate, and fast fission energy regimes. The configurations are designed to be easily modified (for example, to add diluent materials of interest) to allow for efficient generation of additional benchmark configurations and allow for added nuclear data testing utility when comparing modified configurations to baseline configurations. The goal of IER-479 is to use the TEX-HEU concept (stack of HEU plates and polyethylene moderators) to design a critical experiment that can be used to validate low temperature cross sections and criticality safety analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗