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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Whole core analysis of OECD/NEA TVA-WB1 benchmark exercise 1 using continuous-energy Monte Carlo code MVP with JENDL-4.0u and ENDF/B-VII.0

The TVA WB1 benchmark problem was precisely modeled in accordance with the geometry and material specifications, and benchmark exercise 1 was solved with the MVP code and the nuclear data libraries based on JENDL-4.0u (JENDL-4.0 updated file) and ENDF/B-VII.0. The criticality, the control rod bank worth, the isothermal temperature coefficient (ITC), the integral rod worth of bank D, and differential soluble boron worth (DBW) were obtained. The criticality and the control rod bank worth were compared with the measured data and published calculation results with other codes, Serpent and KENO. The criticality and the control rod bank worth calculated by MVP and the libraries agree with the measured and the published calculation results within the criteria specified in the ANSI/ANS standard. From these results, the calculation model for the MVP and the libraries was verified. The other parameters such as ITC, the integral rod worth, and DBW were also compared between JENDL-4.0u and ENDF/B-VII.0. The comparison of the results shows JENDL-4.0u and ENDF/B-VII.0 give comparable results within the standard deviation, the difference between libraries is small. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

EXPRES. I. HD 3651 as an Ideal RV Benchmark

The next generation of exoplanet-hunting spectrographs should deliver up to an order of magnitude improvement in radial velocity (RV) precision over the standard 1 m s{sup −1} state-of-the-art spectrographs. This advance is critical for enabling the detection of Earth-mass planets around Sun-like stars. New calibration techniques such as laser frequency combs and stabilized etalons ensure that the instrumental stability is well characterized. However, additional sources of error include stellar noise, undetected short-period planets, and telluric contamination. To understand and ultimately mitigate error sources, the contributing terms in the error budget must be isolated to the greatest extent possible. Here, we introduce a new high-cadence RV program, the Extreme Precision Spectrograph (EXPRES) 100 Earths Survey, which aims to identify rocky planets around bright, nearby G and K dwarfs. We also present a benchmark case: the 62 day orbit of a Saturn-mass planet orbiting the chromospherically quiet star, HD 3651. The combination of high eccentricity (0.6) and a moderately long orbital period ensures significant dynamical clearing of any inner planets. Our Keplerian model for this planetary orbit has a residual rms of 58 cm s{sup −1} over a ∼6 month time baseline. By eliminating significant contributors to the RV error budget, HD 3651 serves as a standard for evaluating the long-term precision of extreme precision RV programs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

An Integrated High-performance Computing and Digital Real-time Simulation Testbed to Benchmark Closed-loop Load Shedding Algorithms in Power Systems

An integrated testbed using digital real-time simulator (DRTS) and a high-performance computing (HPC) cluster is presented here to compare speed and performance of computational schemes to mitigate time-critical issues in electric power systems. The first approach in this testbed validation is taken by running a set of closed-loop load shedding algorithms to compare and contrast two paradigms of arresting cascading failure propagation. Two algorithms involve solving DC and AC power flow model-based optimization problems to compute load shedding at different buses, while a model-based stochastic search using parallel computing provides a viable alternative. The algorithms are implemented in the DRTS-HPC testbed for the IEEE 14-bus benchmark transmission system. As a proof of the concept, simulation results are presented for implementation of closed-loop load-shedding algorithms for cascading failures in the DRTS-HPC testbed

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Microreactor Assembly Transportation Cask Model Description for Criticality Safety Validation Basis Assessment

Criticality safety analyses are completed on a transportation cask used for microreactor assembly shipment to provide an example of model and analysis to industry for reproducing this type of study on their microreactor fuel shipment. The fuel assembly considered is based on a gas-cooled microreactor (GC-MR), which utilizes HALEU fuel in the form of TRISO particles and utilizes various design options considered in industry designs. Various versions of this GC-MR assembly were studied, with and without YH2 moderator, providing similar conclusions. The shipment cask design is revised based on an existing design ES-3100, developed by Y-12 for the transport of highly enriched uranium (HEU), but is enlarged to hold the GC-MR fuel assembly. Criticality safety analysis for the cask/GC-MR fuel assembly package was performed using the CSAS6 sequence of SCALE6.3.2, utilizing the ENDF/B-VII.1 based continuous energy neutron library, and the analysis strictly follows the guideline from NRC reference reports. Different scenarios, e.g. normal operation, undamaged cask with water flooded, damaged cask with optimal water moderation, have been analyzed and it could be concluded the package would always have a large margin of subcriticality even packed in an infinite array. Sensitivity and similarity analyses are also performed using the TSUNAMI sequence of SCALE6.3.2, and the similarity analysis uses all the experiments from the ICSBEP Handbook with Intermediate and Mixed Enriched Uranium (IEU) and Low Enriched Uranium (LEU) systems together with additional ones that are sponsored by the DNCSH program. These similarity analyses indicate that dry cases have no similar benchmark experiments (ck values greater than 0.8), which may become problematic if more assemblies are shipped together (or a fully loaded core is shipped) and margin to criticality is reduced. However, the damaged cask models with flooded assemblies exhibited similarities to many experiments with ck values greater than 0.8.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Microreactor Assembly Transportation Cask Model Description for Criticality Safety Validation Basis Assessment (Rev. 3)

Criticality safety analyses are completed on a transportation cask used for microreactor assembly shipment to provide an example of model and analysis to industry for reproducing this type of study on their microreactor fuel shipment. The fuel assembly considered is based on a gas-cooled microreactor (GC-MR), which utilizes HALEU fuel in the form of TRISO particles and utilizes various design options considered in industry designs. Various versions of this GC-MR assembly were studied, with and without YH 2 moderator, providing similar conclusions. The shipment cask design is revised based on an existing ES-3100 design, developed by Y-12 for the transport of highly enriched uranium (HEU), but is enlarged to hold the GC-MR fuel assembly. Criticality safety analysis for the cask/GC-MR fuel assembly package was performed using the CSAS6 sequence of SCALE6.3.2, utilizing the ENDF/B-VII.1 based continuous energy neutron library, and the analysis strictly follows the guideline from NRC reference reports. Different scenarios, e.g. normal operation, undamaged cask with water flooded, damaged cask with optimal water moderation, have been analyzed and it could be concluded the package would always have a large margin of subcriticality even packed in an infinite array. Sensitivity and similarity analyses are also performed using the TSUNAMI sequence of SCALE6.3.2, and the similarity analysis uses all the experiments from the ICSBEP Handbook with Highly Enriched Uranium (HEU), Intermediate and Mixed Enriched Uranium (IEU) and Low Enriched Uranium (LEU) systems, together with additional ones that are sponsored by the DNCSH program, and selected IRPhEP experiments using TRISO fuel and graphite moderator. These similarity analyses indicate that the dry nominal design has no similar benchmark experiments (ck values greater than 0.8), which may become problematic if more assemblies are shipped together (or a fully loaded core is shipped) and margin to criticality is reduced. However, the cask models with flooded assemblies exhibited similarities to many experiments with c k values greater than 0.8.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Depletion Benchmark of the AFIP-7 Experiment in the Advanced Test Reactor

Reactor physics depletion benchmarks for low-enriched uranium fuel are limited in number. In particular, there is very limited data for LEU benchmarks for U-10Mo (Uranium-10% Molybdenum) plate fuel developed for use in U.S. high-performance research reactors (USHPRR). USHPRR includes the Advanced Test Reactor (ATR), Advanced Test Reactor Critical Facility (ATR-C), High Flux Isotope Reactor (HFIR), University of Missouri Research Reactor (MURR), Massachusetts Institute of Technology Reactor (MITR), and National Bureau of Standards Reactor (NBSR) at the National Institute of Science and Technology. These reactors are fueled with high-enriched uranium dispersed fuel in a silicon/aluminum matrix. In support of conversion to a HALEU fuel, qualification of U-10Mo formed into a monolithic foil is being performed. Fuel qualification involves irradiated fueled specimens in the ATR. The irradiation tests provide an opportunity to benchmark depletion capabilities of reactor physics codes in support of the ATR operation, as well as develop benchmarks that can be used by other institutions to benchmark other reactor physics codes. This report documents the development of a benchmark model of the irradiation of the ATR Full -size plate In center flux trap Position 7 (AFIP-7) experiment.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

CSEWG Meeting Minutes

There were many improvements and additions to ENDF/B-VIII.1. We tested four key moderator materials: Be, HF, FLiBe, and graphite. Be-metal moderated critical assemblies of HEU only see 26 pcm difference. Sd library adds new physics to the TSL which improves the agreement with the benchmark. Other changes besides the TSL impact the benchmark: 235U and 9Be. Free gas change affects library heavily, hundreds of pcm in wrong way – need to look at FG libraries. F and Cl TSLs added to 8.1. A 3k pcm disagreement was seen without new TSL. Adding 8.1 + TSL reduces pcm disagreement A LOT.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Volumetrics of Hydrogen Storage by Physical Adsorption

Physical adsorption remains a promising method for achieving fast, reversible hydrogen storage at both ambient and cryogenic conditions. Research in this area has recently shifted to focus primarily on the volumetric (H 2 stored/delivered per volume) gains achieved within an adsorptive storage system over that of pure H 2 compression; however, the methodology for estimating a volumetric stored or delivered amount requires several assumptions related to the ultimate packing of the adsorbent material into an actual storage system volume. In this work, we critically review the different assumptions commonly employed, and thereby categorize and compare the volumetric storage and delivery across numerous different porous materials including benchmark metal-organic frameworks, porous carbons, and zeolites. In several cases, there is a significant gain in both storage and delivery by the addition of an adsorbent to the high-pressure H 2 storage system over that of pure compression, even at room temperature. Lightweight, low-density materials remain the optimal adsorbents at low temperature, while higher density, open metal-containing frameworks are necessary for high-density room temperature storage and delivery.

08 HYDROGEN↗
DOE OSTI2025

The HTR-Proteus Benchmark: Analysis and Use as a Verification and Validation Case

This presentation outlines the evaluation and application of the HTR-Proteus benchmark as a verification and validation (V&V) case for advanced reactor modeling tools. The work supports the U.S. Department of Energy’s HALEU Availability Program (HAP) and the joint DOE/NRC DNCSH project, which aims to reduce criticality safety uncertainties in commercial-scale HALEU fuel cycle and transportation systems. The HTR-Proteus experiments, conducted at the Paul Scherrer Institute, provide high-fidelity data for TRISO-fueled, graphite-moderated pebble bed reactors with high neutron leakage—conditions relevant to HALEU transport scenarios. This study focuses on Cores 4.2 and 4.3 of the HTR-Proteus benchmark, analyzing key sources of uncertainty including pebble packing, TRISO particle positioning, and core height. Using Project Chrono for realistic pebble geometries and Serpent, SHIFT, and MCNP for neutronics simulations, the study quantifies the impact of these uncertainties on the effective multiplication factor (keff). Results show that a sample size of 110 pebble configurations is sufficient to converge keff, with ±30 pcm uncertainty due to packing randomness. TRISO positioning and core height variations also significantly influence keff, highlighting the importance of detailed modeling in V&V efforts. The benchmark serves as a valuable test case for validating the Griffin reactor physics code and improving confidence in HALEU system simulations.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Depletion benchmark for a high-assay low-enriched uranium fuel experiment in the advanced test reactor

Reactor physics depletion benchmarks for high-assay low-enriched uranium (HALEU) fuel are limited in number. In particular, there is limited data for HALEU benchmarks for U-10Mo (uranium-10% molybdenum) plate fuel that is being developed for use in the United States’ high performance research reactors including the Advanced Test Reactor (ATR), Advanced Test Reactor Critical Facility (ATR-C), High Flux Isotope Reactor (HFIR), Massachusetts Institute of Technology Reactor (MITR), University of Missouri Research Reactor (MURR), National Bureau of Standards Reactor (NBSR). These six reactors currently operate with highly enriched uranium dispersed fuel in an aluminum matrix. In support of conversion to a HALEU fuel, qualification of U-10Mo formed into a monolithic foil is being performed. Fuel qualification involves irradiating fuel specimens in the ATR. The irradiation tests provide an opportunity to benchmark depletion capabilities of reactor physics codes in support of the ATR operation, as well as develop benchmarks that can be used by other institutions to benchmark other reactor physics codes. This paper documents the development of a benchmark model of the irradiation of the ATR Full-size plate In center flux trap Position 7 (AFIP-7) experiment using the depletion codes MC21 and Advanced Dimensional Depletion for Engineering of Reactors (ADDER).

Nielsen, Joseph W. [Idaho National Laboratory (INL↗
DOE OSTI2022

Evaluation of China Experimental Fast Reactor Start-up Tests (Final Report, Revision 1)

This report documents the results and observations on the Coordinated Research Project (CRP) of the International Atomic Energy Agency (IAEA) on “Neutronics Benchmark of CEFR Start-Up Tests.” The China Experimental Fast Reactor (CEFR) is a 65MWt sodium-cooled fast reactor with highly enriched uranium oxide fuel. The reactor achieved first criticality in 2010, and a series of start-up tests were conducted to measure various reactor physics parameters. In 2018, the IAEA launched the CRP for validation and qualification of member states' computation capabilities in the field of fast reactor simulation by utilizing the measured data in the CEFR start-up test. Twenty-nine international organizations from eighteen member countries, including Argonne National Laboratory, have participated in the CRP. The CEFR start-up tests offer a rare opportunity to validate U.S. nuclear engineering software because it is a well-specified benchmark with corresponding measurements for a recently built fast reactor starting up with a known fuel composition (fresh fuel). Previous fast reactor validation benchmarks frequently involve reactors that have already been started up and contain irradiated fuel that is difficult to characterize with high certainty.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

TEX-Hf: Integral Experiment Execution of Thermal/Epithermal eXperiments using Highly Enriched Uranium with Polyethylene and Hafnium (IER-532 CED-3b Report)

This report documents the experimental configurations and measurements for IER-532, Thermal/Epithermal eXperiments (TEX) with highly enriched uranium (HEU) fuel and interstitial hafnium (Hf), moderated and reflected by polyethylene. TEX-Hf is a variation of and based on the TEX-HEU (IER-297) design, with the inclusion of hafnium. These configurations provide integral experiments for validation of hafnium in the thermal, intermediate, and fast neutron energy regimes by maximizing the sensitivity in k eff to the hafnium isotope cross sections. The experiment campaign was completed over seven weeks during the end of FY22 and beginning of FY23 at the National Critical Experiments Research Center at the Nevada National Security Site. The campaign produced seven experimental configurations, four reproducibility measurements, and many additional dimensional measurements that will be of use to the future benchmark evaluation of this experiment and other experiments using the same HEU fuel. Table 1 summarizes the TEX-Hf experimental configurations, including their physical parameters, calculated fission fractions, and estimated excess reactivities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Computationally Guided and Experimentally Validated Design of Custom Chelators for Critical Mineral Recovery

Selective, high throughput separation of target critical metals from complex environments such as fly ash leachates and mining process streams presents a significant challenge for economical production. Custom chelators and sorbents are an attractive technology for selective metal extraction, however it can be difficult to predict their performance, and significant experimental efforts are often required to develop chelating technologies. Here, we present a computational strategy focused on modelling chelator-metal binding interactions and benchmark these results versus experimental data. A computational pipeline combining forcefield, semiempirical, and meta-GGA methods with a thermodynamic framework optimized for error cancellation has been developed to predict binding energies of chelator complexes towards critical mineral recovery applications. This approach, originally validated on [2.2.2] cryptates binding mono- and divalent cations, demonstrated robust predictive capabilities with an R2 of 0.850 against experimental aqueous binding energies. The workflow includes metadynamics for exploring high-dimensional potential energy surfaces and a cluster-continuum model for accurate yet computationally efficient solvation modeling. Error cancellation between solvation energies of free and chelator-coordinated ions enables faster convergence, even with finite cluster sizes. Initial studies on the cryptates revealed consistent metal-ligand coordination patterns, with systematic variations influenced by ion size and charge, highlighting key structural features linked to binding selectivity. Further studies of a proprietary chelator have resulted in identification of previously unreported selectivity towards economically significant metals, which in-house experiments have confirmed, demonstrating the feasibility of this approach. By applying this methodology to new chelators targeting critical minerals such as lithium, cobalt, nickel and other strategic metals, we aim to accelerate the discovery of next-generation chelators for efficient recovery, recycling, and separation processes. This computational framework serves as the backbone of a high-throughput design pipeline tailored for sustainable resource utilization and may be applied to a wide range of systems to meet experimental needs.

computational materials↗
DOE OSTI2023

Anion-tethered Single Lithium-ion Conducting Polyelectrolytes through UV-induced Free Radical Polymerization for Improved Morphological Stability of Lithium Metal Anodes

Single Li + ion conducting polyelectrolytes (SICs), which feature covalently tethered counter-anions along their backbone, have the potential to mitigate dendrite formation by reducing concentration polarization and preventing salt depletion. However, due to their low ionic conductivity and complicated synthetic procedure, the successful validation of these claimed advantages in lithium metal (Li 0 ) anode batteries remains limited. In this study, we fabricated a SIC electrolyte using a single-step UV polymerization approach. The resulting electrolyte exhibited a high Li + transference number (t + ) of 0.85 and demonstrated good Li + conductivity (6.3×10 -5 S/cm at room temperature), which is comparable to that of a benchmark dual ion conductor (DIC, 9.1×10 -5 S/cm). Benefitting from the high transference number of SIC, it displayed a three-fold higher critical current density (2.4 mA/cm 2 ) compared to DIC (0.8 mA/cm 2 ) by successfully suppressing concentration polarization-induced short-circuiting. Additionally, the t + significantly influenced the deposition behavior of Li0, with SIC yielding a uniform, compact, and mosaic-like morphology, while the low t + DIC resulted in a porous morphology with Li 0 whiskers. Using the SIC electrolyte, Li 0 ||LiFePO 4 cells exhibited stable operation for 4500 cycles with 70.5 % capacity retention at 22 °C.

25 ENERGY STORAGE↗
DOE OSTI2023

Anion-tethered Single Lithium-ion Conducting Polyelectrolytes through UV-induced Free Radical Polymerization for Improved Morphological Stability of Lithium Metal Anodes

Single Li + ion conducting polyelectrolytes (SICs), which feature covalently tethered counter-anions along their backbone, have the potential to mitigate dendrite formation by reducing concentration polarization and preventing salt depletion. However, due to their low ionic conductivity and complicated synthetic procedure, the successful validation of these claimed advantages in lithium metal (Li 0 ) anode batteries remains limited. In this study, we fabricated a SIC electrolyte using a single-step UV polymerization approach. The resulting electrolyte exhibited a high Li + transference number (t + ) of 0.85 and demonstrated good Li + conductivity (6.3×10 -5 S/cm at room temperature), which is comparable to that of a benchmark dual ion conductor (DIC, 9.1×10 -5 S/cm). Benefitting from the high transference number of SIC, it displayed a three-fold higher critical current density (2.4 mA/cm 2 ) compared to DIC (0.8 mA/cm 2 ) by successfully suppressing concentration polarization-induced short-circuiting. Additionally, the t + significantly influenced the deposition behavior of Li 0 , with SIC yielding a uniform, compact, and mosaic-like morphology, while the low t + DIC resulted in a porous morphology with Li 0 whiskers. In conclusion, using the SIC electrolyte, Li 0 ||LiFePO 4 cells exhibited stable operation for 4500 cycles with 70.5 % capacity retention at 22 °C.

25 ENERGY STORAGE↗
DOE OSTI2021

Electrochemical Routes for the Valorization of Biomass-Derived Feedstocks: From Chemistry to Application

The drive to reduce consumption of fossil resources, coupled with expanding capacity for renewable electricity, invites the exploration of new routes to utilize this energy for the sustainable production of fuels, chemicals, and materials. Biomass represents a possible source of platform precursors for such commodities due to its inherent ability to fix CO2 in the form of multi-carbon organic molecules. Electrochemical methods for the valorization of biomass are thus intriguing, but there is a need to objectively evaluate this field and define the opportunity space by identifying pathways suited to electrochemistry. In this contribution we offer a comprehensive, critical review of recent advances in low-temperature (liquid phase), electrochemical reduction and oxidation of biomass-derived intermediates (polyols, furans, carboxylic acids, amino acids, and lignin), with emphasis on identifying the state-of-the-art for each documented reaction. Progress in computational modeling is also reviewed. We further suggest a number of possible reactions that have not yet been explored but which are expected to proceed based on established routes to transform specific functional groups. We conclude with a critical discussion of technological challenges for scale-up, fundamental research needs, process intensification opportunities (e.g., by pairing compatible oxidations and reductions), and new benchmarking standards that will be necessary to accelerate progress toward application in this still-nascent field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

X-ray spectroscopic identification of strain and structure-based resonances in a series of saturated carbon-cage molecules: Adamantane, twistane, octahedrane, and cubane

Novel nanocarbons such as fullerenes, nanotubes, graphene, and nanodiamond reside at the cutting edge of nanoscience and technology. Along with chemical functionalization, geometric constraints (such as extreme curvature in nanotubes or defects within or at the surfaces of diamond nanoparticles) significantly alter the electronic states of the nanocarbon material. Understanding the effects of steric strain on the electronic structure is critical to developing nanoelectronic applications based on these materials. This paper presents a fundamental study of how strain affects the electronic structure in a benchmark series of some fundamental saturated carbon cage compounds. Adamantane, C10H16, the smallest diamondoid and arguably the smallest nanodiamond crystallite, has carbon atoms essentially commensurate with diamond lattice positions and possesses by far the least molecular strain of this series. Twistane also is a C10H16 isomer but the fixed cyclohexane twist conformation of the central ring introduces additional strain into the cage. Octahedrane [(CH)12] and cubane [(CH)8] are considerably more strained, culminating in cubane where carbon–carbon bonds lie either parallel or orthogonal to one another. Using gas-phase near-edge x-ray absorption fine structure spectroscopy to probe the unoccupied electronic states, we observe two major progressions across this series. First, a broad C–C σ* resonance in the absorption splits into two more narrow and intense resonances with increasing strain. Second, the first manifold of states previously associated with tertiary C–H σ* in the diamondoid series appears to broaden and shift to lower energy. This feature is more than twice as intense in cubane than in octahedrane, even though these two molecules have only tertiary carbons, with the chemical formula (CH)x. The spectral differences are entirely due to the shape of the molecules; in particular, in cubane, the features arise from a high degree of p-p interaction between parallel C–C bonds. In contrast to the conventional wisdom that near-edge x-ray absorption is primarily an atomically localized spectroscopy, molecular shape and associated strain lead to the dominant features in spectra acquired from this fundamental series of carbon cage structures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Fission neutron activations of stainless steel and its corresponding elemental components

Characterizing neutron activation of stainless steel is a critical task for many applications, and yet little activation data is available for this alloy. To address the need, a series of neutron activation experiments have been performed using the Flattop critical assembly at the National Criticality Experiments Research Center. Several experimental conditions were probed for complete understanding of the neutron environment, including foil composition and position within the assembly. The experimental results reported here will aid in the production of stainless steel benchmarks for a range of nuclear data applications including those used in nuclear forensics analysis.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗