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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Progress Towards the Reality of Low-Temperature Critical Experiments with Low-Temperature TEX

Integral benchmarks for criticality safety do not exist below room temperature. Incredible support for below room temperature benchmarks is present across the international community. Validation of low-temperature neutron cross sections is necessary to verify any operation at temperatures below room temperature which is typically observed in environments far from the equator. For example, a fissile material transportation truck may routinely observe ambient temperatures down to -40°C, which is the lower temperature bound of the normal conditions of transportation defined in the United States Title 10 Code of Federal Regulations §71.71c2. Similarly, the IAEA, which contains 176 member states, has the same requirement for subcriticality for fissile material transportation. Additionally, sub-room temperature benchmarks can validate newly produced cross sections, that include novel thermal scattering laws, from North Carolina State University. A six-case experiment designed based off the TEX-HEU baseline experiments has been proposed utilizing a chilled vacuum chamber capable of cooling the HEU stack down to -50°C. The six proposed configurations span the entire neutron fission energy range and can be tested at intermediate temperatures between room temperature and -40°C. Of the six configurations, the fastest case utilizes nearly 135 kg of HEU. Understanding the system is required prior to critical experiment operations. In order to test the functionality of the system, testing with surrogate fuel materials has been conducted. The following discusses the design of the low temperature TEX (LT-TEX) experiment as well as the progress made via surrogate testing towards a reality in which low-temperature integral benchmarks exist in the International Criticality Safety Benchmark Evaluation Project (ICSBEP).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Small to Full Height Scale Comparisons of Cesium Ion Exchange Performance with Crystalline Silicotitanate

The U.S. Department of Energy’s (DOE) Hanford Site houses 56 million gallons of high-level radioactive waste generated from plutonium production from 1944 to 1988. The supernatant waste, currently stored in underground tanks, is intended to be vitrified following filtration and 137 Cs removal at the Hanford Waste Treatment and Immobilization Plant (WTP) Low-Activity Waste (LAW) Vitrification Facility. The WTP Pretreatment Facility will not be operational for several years. The Tank Side Cesium Removal (TSCR) system is a technology demonstration that will remove cesium from tank waste supernate to support directly feeding LAW to the vitrification facility. The 137 Cs removal is important to meet the WTP LAW contract specification and ultimately for creating a contact-handled waste form. The waste acceptance criteria (WAC) limit for the WTP LAW Facility is <3.18E-5 Ci 137 Cs per mole Na. The TSCR system is skid mounted and employs two key technologies: dead end filtration for solids removal and ion exchange (IX) for cesium removal. Filtration is necessary to protect the functionality of the IX columns. The IX process utilizes sodium form crystalline silicotitanate (CST) IX media produced by UOP Honeywell, LLC (Des Plaines, IL) under the product name IONSIV R9140-B, 18 x 50 mesh, in a lead-lag-polish column configuration. Each column contains a CST bed height of 92 inches and a volume of approximately 157 gallons of CST IX media. The full-scale TSCR operation will run at a residence time of 1.9 bed volumes (BV)/h, which results in a superficial velocity of 7.3 cm/min and a flowrate of ~5 gal/min. Column testing at small (2.5% of the full bed height), medium (12% of the full bed height), and full-height scales has been previously conducted to evaluate process variables and scale up performance of Cs exchange onto the CST. Cesium load performances from various sieve cuts at the small scale indicated that a 30-mesh sieve cut be tested to determine if it better reflects the 12% and full-height column performances at the small scale. Two process flowrates were tested in the small-column configuration with <30-mesh CST and simulant solutions. These tests were compared to full-height column tests at the same residence times to assess CST particle size effect on column scaling. Table S.1 summarizes the observed column performance determined for the two flowrates juxtaposed to the previous work with 5.6 M Na simulant at higher scales (used as benchmarks). The WAC breakthroughs between the small and full-height tests at 1.3 BV/h differed by ~59 BVs. The WAC breakthroughs for small, medium, and full-height tests at 1.8 BV/h were consistent at 240 BVs. The 50% Cs breakthroughs were nominally equivalent for all column tests. The common transition zones and onsets of Cs breakthrough at the 1.8 BV/h tests indicated that the Cs mass transfers were equivalent and thus the <30-mesh CST Cs load performance at the small scale successfully modeled that of the full-height system. It is recommended that the <30-mesh CST be used in subsequent 10-mL CST bed tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

A Review of Candidates for a Validation Data Set for High-Assay Low-Enrichment Uranium Fuels

Many advanced reactor concept designs rely on high-assay low-enriched uranium (HALEU) fuel, enriched up to approximately 19.75% 235 U by weight. Efforts are underway by the US government to increase HALEU production in the United States to meet anticipated needs. However, very few data exist for validation of computational models that include HALEU, beyond a few fresh fuel benchmark specifications in the International Reactor Physics Experiment Evaluation Project. Nevertheless, there are other data with potential value available for developing into quality benchmarks for use in data- and software-validation efforts. This paper reviews the available evaluated HALEU fuel benchmarks and some of the potentially relevant benchmarks for fresh highly enriched uranium. It then introduces experimental data for HALEU fuel irradiated at Idaho National Laboratory, from relatively recent irradiation programs at the Advanced Test Reactor. Such data should be evaluated and, if valuable, collected into detailed benchmark specifications to meet the needs of HALEU-based reactor designers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Field Test and Thermal Performance Comparison of a Novel Underground Thermal Battery with a Single U-tube Borehole Heat Exchanger for Geothermal Heat Pump Application

Geothermal Heat Pumps (GHP) are a proven technology to electrify and decarbonize space heating and cooling by utilizing the thermally consistent underground as a heat sink or source. However, the high drilling costs of conventional borehole heat exchangers (BHEs) associated with GHP systems and subsurface heterogeneity have been two major challenges to their widespread adoption. In this paper, we present results from a field-scale pilot of an Underground Thermal Battery (UTB) as a potential alternative to a conventional BHE. To benchmark the UTB performance, a side-by-side field test was conducted to compare the UTB with a conventional BHE installed at the same site. The UTB was installed in a 7.01-meter-deep borehole having a diameter of 0.9 meter, whereas the conventional BHE (with single U-tube loop) is in a borehole with 36.6-meter depth and 0.15-meter diameter. Both are integrated into a GHP system to meet the thermal energy demands of office space at the Illinois Energy Farm on the University of Illinois Urbana-Champaign campus. The system’s performance is compared in terms of heat transfer rate, outlet temperatures, and contributions to the overall thermal power of the GHP system under varying thermal demands and in different heat pump operation modes: heating only, cooling only, and hybrid (alternative, diurnal heating and cooling). Results to date indicate that the UTB delivers a more consistent response under during a time period of varying thermal demands. Its operational performance is better during short-term with higher thermal demands, while the conventional BHE performs better under continuous, long-term thermal demands.

Pokhrel, Sajjan [ORNL] (ORCID:0000000228523749)↗
DOE OSTI2022

Final Design for Thermal/Epithermal eXperiments using High 240 Pu Content Plutonium/Aluminum Zero Power Research Reactor Plates with Polyethylene Moderator (IER 520 Final Design CED-2 Report)

The US Department of Energy Nuclear Criticality Safety Program (NCSP) convened a multinational Thermal Epithermal eXperiments (TEX) meeting in July of 2011 to discuss the data and experimental needs of criticality safety practitioners. The number one and two priority integral experiment data needs were for 239 Pu and 240 Pu, with special emphasis on cross section performance in the intermediate energy range (from 0.625 eV to 100 keV). LLNL measured five critical configurations with LANL for the plutonium test bed (IER-184) and published the experiments as International Criticality Safety Benchmark Evaluation Project evaluation PUMET-MIXED-002. Modeling of the benchmark configurations using ENDF/B-VIII.0 nuclear data showed significant overprediction of reactivity for configurations that had a large percentage of fissions in the intermediate energy regime. This report documents a variation on the TEX plutonium test bed to provide a test of 240 Pu cross sections, with sensitivity of the configuration to 240 Pu radiative capture and fission cross sections a priority for the design.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Towards robust surrogate models: Benchmarking machine learning approaches to expediting phase field simulations of brittle fracture

Data-driven approaches have the potential to make modeling complex, nonlinear physical phenomena significantly more computationally tractable. For example, computational modeling of fracture is a core challenge where machine learning techniques have the potential to provide a much needed speedup that would enable progress in areas such as multi-scale modeling and uncertainty quantification. Currently, phase field modeling (PFM) of fracture is one such approach that offers a convenient variational formulation to model crack nucleation, branching and propagation. To date, machine learning techniques have shown promise in approximating PFM simulations. While standard fracture benchmarks represent realistic scenarios frequently observed in practice, they typically do not provide sufficiently challenging tests for data-driven methods. Here, to address this gap, we introduce a challenging dataset based on PFM simulations designed to benchmark and advance ML methods for fracture modeling. This dataset includes three energy decomposition methods, two boundary conditions, and 1000 random initial crack configurations for a total of 6000 simulations. Each sample contains 100 time steps capturing the temporal evolution of the crack field. Alongside this dataset, we also implement and evaluate Physics Informed Neural Networks (PINN), Fourier Neural Operators (FNO), and UNet models as baselines, and explore the impact of ensembling strategies on prediction accuracy. With this combination of our dataset and baseline models drawn from the literature we aim to provide a standardized and challenging benchmark for evaluating machine learning approaches to solid mechanics. Our results highlight both the promise and limitations of popular current models, and demonstrate the utility of this dataset as a testbed for advancing machine learning in fracture mechanics research.

Benchmark dataset↗
DOE OSTI2025

Biphasic solvents for post-combustion CO 2 capture from natural gas flue Gas

Fossil fuel fired power plants are generally expected to remain one of the most significant global sources of electricity for decades to come. Consequently, carbon management technologies are needed to reduce or eliminate ongoing emissions from these sources. Amongst the many techniques for carbon capture, aqueous amine-based absorbents (monoethanolamine, MEA, in particular) are, presently, considered the leading technology for post-combustion CO 2 point-source capture. These technologies are nevertheless limited by their high capital and regeneration energy costs. Biphasic solvents have been identified as an attractive alternative to traditional MEA based absorbents due to their potential energy savings. Thus far, however, the research on biphasic solvents has largely focused on their performance in coal flue gas while more dilute natural gas flue gas applications have received relatively little attention. Here, this work examines the performances of two novel biphasic solvent blends, diethylenetriamine (DETA) and triethylenetetramine (TETA), in CO 2 capture from a natural gas flue gas simulant. Across several regeneration tests, both solvents achieved considerable energy savings over the benchmark MEA solution. Specifically, the energy consumption per mol CO 2 recovered for the DETA-based and TETA-based solvents was 46 % and 35 % less than that of the benchmark MEA solution, respectively. Molecular dynamics simulations were also performed to gain a deeper understanding of the phase separation phenomena that occur as a consequence of CO 2 absorption. These simulations indicated that phase change was driven by the strong interaction between the absorption products and water, while the degree of separation depended on the CO 2 loading.

Biphasic solvents↗
DOE OSTI2020

GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions

We present an implementation of all-electron density-functional theory for massively parallel GPU-based platforms, using localized atom-centered basis functions and real-space integration grids. Special attention is paid to domain decomposition of the problem on non-uniform grids, which enables compute- and memory-parallel execution across thousands of nodes for real-space operations, e.g. the update of the electron density, the integration of the real-space Hamiltonian matrix, and calculation of Pulay forces. To assess the performance of our GPU implementation, we performed benchmarks on three different architectures using a 103-material test set. We find that operations which rely on dense serial linear algebra show dramatic speedups from GPU acceleration: in particular, SCF iterations including force and stress calculations exhibit speedups ranging from 4.5 to 6.6. For the architectures and problem types investigated here, this translates to an expected overall speedup between 3–4 for the entire calculation (including non-GPU accelerated parts), for problems featuring several tens to hundreds of atoms. Additional calculations for a 375-atom Bi2Se3 bilayer show that the present GPU strategy scales for large-scale distributed-parallel simulations.

42 ENGINEERING↗
DOE OSTI2020

Stochastic AC optimal power flow: A data-driven approach

There is an emerging need for efficient solutions to stochastic AC Optimal Power Flow (AC-OPF) to ensure optimal and reliable grid operations in the presence of increasing demand and generation uncertainty. Herein this paper presents a highly scalable data-driven algorithm for stochastic AC-OPF that has extremely low sample requirement. The novelty behind the algorithm’s performance involves an iterative scenario design approach that merges information regarding constraint violations in the system with data-driven sparse regression. Compared to conventional methods with random scenario sampling, our approach is able to provide feasible operating points for realistic systems with much lower sample requirements. Furthermore, multiple sub-tasks in our approach can be easily paralleled and based on historical data to enhance its performance and application. We demonstrate the computational improvements of our approach through simulations on different test cases in the IEEE PES PGLib-OPF benchmark library.

42 ENGINEERING↗
DOE OSTI2024

Effect of Inlet Throttling on Thermohydraulic Instability in a Large Scale Waterbased RCCS: A System-Level Analysis with RELAP5-3D

This paper presents results from system -level modeling of a water -based reactor cavity cooling system using RELAP5-3D. The computational model is benchmarked with experimental data from a half -scale RCCS test facility at Argonne National Laboratory. The model prediction is first compared with a two-phase oscillatory baseline experimental case where mixed accuracy is obtained. The model shows reasonable prediction of mass flow rate, pressure, and temperature but significant overprediction of void fraction. The model prediction is then compared with a fault case where the inlet of the risers is gradually reduced using a throttling valve. As the valve is closed, the model is able to predict some major flow phenomena observed in the experiment such as the dampening of oscillations, the reintroduction of oscillations, as well as boiling, flashing, and geysering in the risers. However, the timeline of these events are not well captured by the model. The model is also used to investigate the evolution of flow regime in the chimney. This work highlights that the semiempirical constitutive relations used in RELAP-3D could have a strong influence on the accuracy of the model in two-phase oscillatory flows.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

A hybrid approach to excited-state-specific variational Monte Carlo and doubly excited states

We extend our hybrid linear-method/accelerated-descent variational Monte Carlo optimization approach to excited states and investigate its efficacy in double excitations. In addition to showing a superior statistical efficiency when compared to the linear method, our tests on small molecules show good energetic agreement with benchmark methods. We also demonstrate the ability to treat double excitations in systems that are too large for a full treatment by using selected configuration interaction methods via an application to 4-aminobenzonitrile. Finally, we investigate the stability of state-specific variance optimization against collapse to other states’ variance minima and find that symmetry, Ansatz quality, and sample size all have roles to play in achieving stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Results of the KRUSTY Warm Critical Experiments

The Kilowatt Reactor Using Stirling TechnologY (KRUSTY) was a prototypic nuclear-powered test of a 5-kW(thermal) Kilopower space reactor. This paper presents results from the KRUSTY warm critical experiments, which were completed prior to the final system test. The first set of criticals comprised cold or zero-power criticals; i.e., the core was not heated by fission power. These were followed by three warm criticals, where fission power heated the core to 200°C, 300°C, and 450°C, respectively. These criticals provided the data, confidence, and regulatory framework that were needed to proceed with the KRUSTY nuclear system test. The criticals also provided valuable data for the benchmarking of codes applicable to all nuclear systems. Finally, a comparison of KRUSTY results to pretest predictions is provided, and overall, the models matched the experimental results very closely.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Resilience Assessment for Distribution Systems during Hurricanes: A Learning-Based Framework

This paper presents a proactive strategy for hurricane-resilient distribution systems. It proposes a Bayesian Neural Network-based outage prediction model considering various parameters, including electrical components, and weather and environmental factors. Addressing challenges in imbalanced outage datasets, a Bias-Variance Tradeoff method is proposed. A resilience assessment model quantifies resilience indices, providing insights into system weaknesses. The approach identifies weak points and serves as a planning benchmark. Numerical results on the modified IEEE 123-node test system demonstrate effectiveness in realistic hurricane scenarios.

Vahedi, Soroush↗
DOE OSTI2023

Rethinking the Price Formation Problem–Part 1: Participant Incentives under Uncertainty

Operators of organized wholesale electricity markets attempt to form prices in such a way that the private incentives of market participants are consistent with a socially optimal commitment and dispatch schedule. In the U.S. context, several competing price formation schemes have been proposed to address the non-convex production cost functions characteristic of most generation technologies. Here, this paper considers how the design and analysis of price formation policies for non-convex markets are affected by the uncertainty inherent in electricity demand and supply. We argue that by excluding uncertainty, the analytical framework underlying existing policies mischaracterizes the incentives of market participants, leading to inefficient price formation and poor incentives for flexibility. We establish favorable theoretical properties of a new construct, ex ante convex hull pricing , and demonstrate the difference between this idealized benchmark and existing methods on a large-scale test system. Given increased operational uncertainty with a transition to wind and solar generation, distortions caused by poor incentives for flexibility are likely to grow without improved price formation in organized wholesale markets.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

STEPS: A Portable Numerical Simulation Toolkit for Electrical Power System Dynamic Studies

Numerical simulation is the key technique for large scale power system analysis. Redistribution of global renewable power via international interconnections requires new simulation tools to study the interconnected systems with different nominal frequencies as a whole. In this paper we introduce an open source simulation toolkit for electrical power systems (STEPS) which is hosted at Github. Its kernel is coded in C++ with major functions of power flow and electro-mechanical dynamic simulation. Flexible options are provided and configurable to improve power flow solution and dynamic simulation. Common devices and models are supported in STEPS for AC/DC hybrid system studies. Studies of interconnected systems with different nominal frequencies is supported in STEPS for research of international interconnection. Application program interfaces are provided and wrapped with Python to enable high-level interfaces for general applications. STEPS is thread safe and parallel computation is supported in both kernel and script levels to accelerate simulation. It is portable and works on Windows and GNU/Linux platforms. Cases from small to large scale systems are thoroughly tested to validate the toolkit with commercial packages as benchmarks.

42 ENGINEERING↗
DOE OSTI2023

Learning Provably Stable Local Volt/Var Controllers for Efficient Network Operation

Here this paper develops a data-driven framework to synthesize local Volt/Var control strategies for distributed energy resources (DERs) in power distribution grids (DGs). Aiming to improve DG operational efficiency, as quantified by a generic optimal reactive power flow (ORPF) problem, we propose a two-stage approach. The first stage involves learning the manifold of optimal operating points determined by an ORPF instance. To synthesize local Volt/Var controllers, the learning task is partitioned into learning local surrogates (one per DER) of the optimal manifold with voltage input and reactive power output. Since these surrogates characterize efficient DG operating points, in the second stage, we develop local control schemes that steer the DG to these operating points. We identify the conditions on the surrogates and control parameters to ensure that the locally acting controllers collectively converge, in a global asymptotic sense, to a DG operating point agreeing with the local surrogates. We use neural networks to model the surrogates and enforce the identified conditions in the training phase. AC power flow simulations on the IEEE 37-bus network empirically bolster the theoretical stability guarantees obtained under linearized power flow assumptions. The tests further highlight the optimality improvement compared to prevalent benchmark methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Data Repository for Power system Open models With Evolving Resources (DR POWER) (Final Scientific/Technical Report)

Pacific Northwest National Laboratory (PNNL) and the National Rural Electric Cooperative Association (NRECA) created a Data Repository for Power system Open models With Evolving Resources (DR POWER) to establish, curate, and evolve open-access power grid models and scenarios, and measurements and observations, collectively referred to as datasets. Existing open-access datasets are inadequate (too small and not representative of the complexity of the modern grid, and scattered all over the world wide web) for the investigation and benchmarking of the advanced optimization methods needed for next-generation grids. Open-access datasets are static and inadequate in other aspects: they do not provide format transformation tools; there is missing information needed for advanced applications; hard to cite; no model evolution history; difficult to update current collections; and little to no community involvement and feedback. Overall, the current landscape is hindering model evolution and benchmarking standards needed for transformational approaches to be developed, tested, and accepted by the power modeling community.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Monte Carlo Simulation of Background and Source Measurements with CSG and CAD Geometries

Detecting radioactive sources in an urban environment is difficult due to the large magnitude and variability of the background radiation. To support the search mission of the National Nuclear Security Administration, a project was undertaken to determine if first-principles modeling and simulation could be used to accurately predict the response of radiation detectors in urban environments. This study demonstrates that the simulated detector responses to photon radiation from both an isotopic source and the background compare well to benchmark-quality measurements in a large urban-like test environment. Simulation results using a traditional combinatorial solid geometry and a CAD model generated from LiDAR measurements gave very similar detector responses. With this validation, further simulations could be used to predict detector responses for various situations in real urban settings.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗