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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Compare predictions of transient fission gas release by empirical and mechanistic models to experiments in high burnup UO 2 fuel

Understanding and predicting fuel performance at high burnup require improving our understanding of transient fission gas release. High-burnup operations enable new mechanisms of fission gas release, which affect fuel performance. The Nuclear Regulatory Commission has recently published its interpretation of existing fuel fragmentation, relocation, and dispersal data in a research information letter. There, transient fission gas release was identified as one of the main factors that contributes to fuel fragmentation, relocation, and dispersal, and therefore limits fuel extension to high burnup. However, transient fission gas release is a complex phenomenon that cannot be fully described by simple empirical descriptions. This report summarizes the development of a mechanistic model for high-burnup transient fission gas release in the fuel performance code BISON. This research was supported by the Nuclear Energy Advanced Modeling and Simulation program during fiscal year 2023 to improve our understanding of high-burnup transient fission gas release and ability to predict it as a function of operation history. To support the development of a mechanistic transient fission gas release model, the existing Simple Integrated Fission Gas Release and Swelling (Sifgrs) model in BISON has been completely refactored to make it more modular and extensible. This effort supports the model's application to high-burnup conditions, its extension to other fuel forms, and the continuous improvement of its current features. Once refactoring was completed, models for high-burnup structure formation, fission gas transfer from non-restructured fuel to high-burnup structure, high-burnup structure intragranular and intergranular fission gas behavior, high-burnup structure bubble evolution, fuel pulverization, and the resulting transient fission gas release were tested and implemented in the Simple Integrated Fission Gas Release and Swelling (Sifgrs) model or tightly coupled to it. The new mechanistic model was then compared to an empirical model developed in parallel by a Nuclear Energy University Program project using a Studsvik high-burnup loss-of-coolant-accident assessment case. Finally, the report details the preliminary BISON results for a benchmark activity organized by the Nuclear Energy Agency to evaluate fuel performance codes' predictive capabilities for burst fission gas release. This work represents an important step toward a mechanistic understanding of fission gas release in high-burnup conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Uncertainties in tellurium-based dark matter searches stemming from nuclear structure uncertainties

Using tellurium dioxide as a target, we calculate uncertainties on 90% upper confidence limits of Galilean effective field theory (Galilean EFT) couplings to a weakly interacting massive particle (WIMP) dark matter candidate due to uncertainties in nuclear shell models. We find that these uncertainties in naturally occurring tellurium isotopes are comparable across the different Galilean EFT couplings to uncertainties in xenon, with some reaching over 100%. We also consider the effect these nuclear uncertainties have on estimates of the annual modulation of dark matter from these searches, finding that the uncertainties in the modulation amplitude are proportional to the nonmodulating upper confidence limit uncertainties. We also show that the determination of the modulation phase is insensitive to changes in the nuclear model for a given isotope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Graphite Material Behavior: NRC Graphite Behavior Model

Introduction to graphite Fabrication of graphite Unique features of nuclear grade graphite Providing the properties As-fabricated material properties of interest Thermal diff, thermal stability, mechanical strength, etc. General graphite behavior and degradation Microstructure: key to behavior Crystallographic structure Basal plane (covalent) bonding Porosity and pore microstructure Degradation Irradiation behavior Oxidation behavior Molten salt issues

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Oxidation Behavior and Property Degradation of Nuclear Graphites

During its multidecade operation in the core of nuclear reactors, graphite components are subjected to aggressive and continuous exposure to a high field of ionizing and neutron irradiation, high temperature, and various types of present and postulated chemical attacks. High density, high crystallinity polygranular synthetic graphite is unique among other materials for its extraordinary capacity of resisting and adapting to the aggression inflicted by high temperature, high energy neutron bombardment and ionizing gamma radiation. But, as a carbonaceous material, even though of very high purity, graphite is reactive towards common oxidizing agents: oxygen, carbon dioxide, water. Safe operation of HTGRs relies, among other aspects, on engineered safeguard systems for efficient and continuous protection of graphite components against oxidation. Graphite oxidation behavior was, and continues to be, an important direction of theoretical and experimental research, engineering analyses, models and simulations, and design and safety regulations. The avalanche of publications, reports, experimental data, computer codes, and regulatory documents related to oxidation behavior of nuclear graphite is now accelerating to new levels, prompted by the increased interest for nuclear energy as a clean, carbon-free energy source. Even though public’s perception of nuclear energy advantages may still be influenced by the memories of past accidents of nuclear reactors from generations II and III, the community of informed scientists and engineers, regulators and statemen knows that generation IV of nuclear reactors is designed at very high safety standards, doubled by great advances of scientific knowledge and technological progress. One of routes of these recent advances is directed at better understanding of graphite oxidation behavior, its relationship with graphite manufacturing and microstructural properties, along with the effects of various environmental factors and process variables. Together, the recent progress in manufacturing, properties characterization, and modeling of intricated physical and chemical processes that concur to the oxidation behavior led to development of powerful simulation codes able to analyze various scenarios of normal operation and hypothetical off-normal events, and thus to clearly specify the allowable parameters envelopes for the designers, constructors, and operators of current and future modular HTGRs. This review begins with an introduction on manufacturing methods, structure, and properties of nuclear graphite, including basic requirements that this specialty graphite type must satisfy for nuclear use. It continues with a chapter on environmental effects on nuclear graphite, where emphasis is placed less on irradiation and much more on oxidation phenomena, their safety implications, and the basic traits of chronic and acute oxidation by air (oxygen) and water (humidity, steam). Particular attention is placed on the three graphite grades of interest for this document (IG-110, NBG-18, PCEA). A chapter on properties degradation induced by oxidation follows, with focus on density, dimensional, and mechanical properties changes. The next chapter is intended as a brief review of various approaches used for modeling of graphite oxidation behavior. It summarizes the progress of oxidation models, from the early attempts to complex computational approaches interfaced with specialized computer codes designed for nuclear reactor simulations. Last, a list is presented of knowledge gaps where more research is needed. A short summary concludes the review.

36 MATERIALS SCIENCE↗
DOE OSTI2022

MatLib-1.1: Nuclear Material Properties Library: Developed under NQA-1-2017

The U.S. Nuclear Regulatory Commission (NRC) uses the computer code Fuel Analysis under Steady-state and Transients (FAST) to model steady-state and transient fuel behavior to support regulatory decisions. FAST relies on a material properties library (MatLib) that contains the thermal and mechanical properties of the nuclear materials and coolants of interest to support the US commercial nuclear industry. MatLib contains properties for a variety of nuclear fuels, cladding and other structural materials, gases, and coolants. In this document, material property correlations for the materials contained within MatLib are presented and discussed. When available, comparisons are made between the material property correlations and available data. Additionally, uncertainties are quantified on the material properties, which is then used by the NRC to support uncertainty quantification for best-estimate plus uncertainty safety evaluation reviews. This document describes MatLib-1.1, which was updated from MatLib-1.0 to include the addition of Lua functionality and code changes for integration with FAST. The results of MatLib did not change between MatLib-1.0 and MatLib-1.1; however, the source code changes warranted incrementing the minor numbering of the software version number. This document is one of a series of documents on FAST; the other documents detail the models used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Massive neutron stars with a color superconducting quark matter core

In this work, we construct the equation of state for high-density neutron star matter at zero temperature using the two-flavor Nambu–Jona-Lasinio (NJL) model as an effective theory of QCD. We build nuclear matter, quark matter, and the mixed phases from the same NJL Lagrangian, which has been used to model free and in-medium hadrons as well as nuclear systems. A focus here is to determine if the same coupling constants in the scalar diquark and vector meson channels, which give a good description of nucleon structure and nuclear matter, can also be used for the color superconducting high-density quark matter phase. We find that this is possible for the scalar diquark (pairing) interaction, but the vector meson interaction has to be reduced so that superconducting quark matter becomes the stable phase at high densities. We compare our equation of state with recent phenomenological parametrizations based on generic stability conditions for neutron stars. We find that the maximum mass of a hybrid star, with a color superconducting quark matter core, exceeds 2.01 ± 0.04 M⊙, which is the value of the recently observed massive neutron star PSR J0348+0432. The mass-radius relation is also consistent with gravitational wave observations (GW170817).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Beyond interpolation: Physics-inspired gating transformers for extrapolating irradiation conditions to novel nuclear fuels

The qualification of advanced nuclear fuels relies on irradiation experiments in test reactors that emulate commercial conditions. Designing these tests requires accurate prediction of key irradiation quantities, particularly heat generation rate and burnup, yet obtaining them typically involves computationally expensive multi-step simulation workflows. We propose a physics-inspired gating transformer (PIGT) that integrates an inverse-square, distance-based attenuation into the encoder representation to bias attention toward physically relevant spatial relationships while retaining data-driven flexibility. Using MiniFuel irradiation data from the High Flux Isotope Reactor at Oak Ridge National Laboratory, we benchmark against ensemble methods, feedforward and recurrent networks, convolutional models, and standard transformers. While baseline models perform well under interpolation, they exhibit a pronounced generalization gap when evaluated on fuels not included in the training set. The proposed model consistently improves extrapolative accuracy and stability, yielding the strongest performance on unseen fuel configurations. These results indicate that a lightweight physics structure embedded within attention mechanisms can substantially improve robustness, enabling more reliable surrogate predictions to accelerate the design of nuclear fuel irradiation experiments.

Fuel qualification↗
DOE OSTI2021

Spectroscopic Signatures of MQ-Resins in Silicone Elastomers

Polysiloxane elastomers have a large application space due to their versatile cross-linking chemistry and highly tunable physical and mechanical properties. One approach for improving the mechanical integrity of commercial polysiloxane “silicone” elastomers while maintaining their optical transparency is the addition of small, silicone-resin molecules to the network. However, both the poly(dimethylsiloxane) (PDMS) network and the silicone-resin particles have an amorphous structure and complex chemistry, which makes the characterization of their structural properties and segmental network dynamics difficult. Here, we report the synthesis and characterization of a series of model silicone networks modified with a specific class of silicone-resin known as MQ-resin using Raman and advanced nuclear magnetic resonance (NMR) spectroscopy methods. Raman spectroscopy was successfully used to quantify the contribution of the MQ-resin to the network, to determine the type of MQ-resin present in the network, and to investigate the completeness of the network cross-linking reaction. Furthermore, solid-state and 1H double-quantum (DQ) NMR spectroscopies were used not only as a detection method for the MQ-resins but also to quantify changes in the segmental dynamics of the network as a function of MQ-resin concentration. The combination of Raman and NMR spectroscopies describes a series of samples where the MQ-resin particles and PDMS chains maintain their independent segmental dynamics up to high concentrations of MQ-resins (40–50% MQ), where the physical properties of the resin dominate the physical properties of the overall network. The results from our spectroscopic analyses are consistent with the results from macroscopic characterization techniques such as solvent uptake and mechanical testing. The spectroscopic insights into the structure–property relationships of PDMS-MQ composites presented in this study are a valuable tool not only for the synthesis and reverse engineering of future generations of commercial silicone elastomers but also for understanding the mechanisms of aging and degradation over the material lifetime.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multilayered Network Models for Security: Enhancing System Security Engineering with Orchestration

Security engineering approaches can often focus on a particular domain—physical security, cyber security, or personnel security, for example. Yet, security systems engineering consistently faces challenges requiring socio-technical solutions to address evolving and dynamic complexity. While some drivers of this complexity stem from complex risk environments, innovative adversaries, and disruptive technologies, other drivers are endogenous and emerge from the interactions across security engineering approaches. In response, INCOSE's Systems Security Working Group identified the need to better coordinate “disparate security solutions [that] operate independently” as one of eleven key concepts in their IS21 FuSE Security Roadmap. From this perspective, this need for “security orchestration” aligns with the perspective that security is a property that emerges from interactions within complex systems. Current efforts at Sandia National Laboratories are developing a systems security engineering approach that describes high consequence facility (HCF) security as a multidomain set of interacting layers. The result is a multilayered network (MLN)-based approach that captures the interactions between infrastructure, physical components, digital components, and humans in nuclear security systems. This article will summarize the MLN-based approach to HCF security and describe two preliminary results demonstrating potential benefits from incorporating interactions across disparate security solutions. Here, leveraging the logical structure of networks, this MLN model-based approach provides an example of how security orchestration provides enhanced systems security engineering solutions.

42 ENGINEERING↗
DOE OSTI2022

Nuclear's Role in the U.S. Electricity System: A Multi-Model Inter-Comparison Analysis

Multiple capacity expansion models (CEMs) for the U.S. power system represent the balance of options among generation, transmission, and storage assets that can satisfy electric loads, operating and planning reserves, and policy requirements. These models are typically set up to find the least-cost portfolio of assets that meet specified requirements, and model decisions can include both investments in new, and retirement of existing, resources. The scenarios explored by CEMs can help inform strategies for meeting future electricity and energy needs under a range of future conditions. However, projections can differ between models, sometimes dramatically, for a seemingly similar scenario. Differences in model coverage, structure, and input assumptions contribute to the range of model outcomes. Understanding what drives the biggest differences in model outputs improves model insights and provides context for interpreting results. This summary presents analysis that was performed through a forum of analysts who own, update, and apply CEMs, as well as nuclear experts from national laboratories, industry, and the research community. The following sections describe methods, results, and findings from an original, innovative inter-model comparison that provides insights into what drives the greatest differences in nuclear retirement and deployment projections across models and a range of technology, market, and policy conditions.

capacity expansion model↗
DOE OSTI2020

Polyoxometalate-based complexes as ligands for the study of actinide chemistry

The complexation of actinide cations by polyoxometalates (POMs) has been extensively studied over the past 50 years. In this perspective article, we present the rich structural diversity of actinide-POM complexes and their contribution to the extension of our knowledges of actinide chemistry, especially regarding aspect of their redox chemistry, as well as application for the capture and separation of these cations in the context of nuclear fuel remediation. Furthermore, these heterometallic assemblies have also proven highly valuable as model for heterogeneous systems based on actinides supported by metal oxide surfaces. In particular, activation of the An–O bond of actinyl fragments upon complexation with lacunary POMs has been reported, creating opportunities for future developments regarding the reactivity of these heterometallic assemblies.

Auvray, Thomas↗
DOE OSTI2022

Isotope dependence of muon-to-electron conversion

The lepton-flavor-violating conversion of a muon into an electron in the field of a nucleus is one of the most sensitive probes of physics beyond the Standard Model and the experiments Mu2e, COMET, and DeeMe will explore uncharted terrain in the near future. An observation of this μ - → e - conversion process opens up the possibility to distinguish the underlying operator or new-physics model by exploiting the target-nucleus dependence of the conversion rate. To facilitate the choice of optimal targets we provide μ - → e - conversion rates for all stable isotopes and estimate nuclear-structure uncertainties. Our results enable studies of mixed or enriched target materials that are particularly promising for distinguishing scenarios in which the muon converts either on protons or neutrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Deformed spin- 1 2 square lattice in antiferromagnetic NaZnVOPO 4 ( HPO 4 )

In this work, we report the structural and magnetic properties of a new spin-$\frac{1}{2}$ antiferromagnet NaZnVOPO 4 (HPO 4 ) studied via x-ray diffraction, magnetic susceptibility, high-field magnetization, specific heat, and 31 P nuclear magnetic resonance (NMR) measurements, as well as density-functional band-structure calculations. While thermodynamic properties of this compound are well described by the J 1 – J 2 square-lattice model, ab initio calculations suggest a significant deformation of the spin lattice. From fits to the magnetic susceptibility we determine the averaged nearest-neighbor and second-neighbor exchange couplings of $\bar{J}$ 1 ≃ – 1.3 K and $\bar{J}$ 2 ≃ 5.6 K , respectively, resulting in the effective frustration ratio α = $\bar{J}$ 2 – $\bar{J}$ 1 ≃ – 4.3 that implies columnar antiferromagnetic order as the ground state. Experimental saturation field of 15.3 T is consistent with these estimates if 20% spatial anisotropy in J 1 is taken into account. Specific heat data signal the onset of a magnetic long-range order at T N ≃ 2.1 K , which is further supported by a sharp peak in the NMR spin-lattice relaxation rate. The NMR spectra mark the superposition of two P lines due to two nonequivalent P sites where the broad line with the strong hyperfine coupling and short T 1 is identified as the P(1) site located within the magnetic planes, while the narrow line with the weak hyperfine coupling and long T 1 is designated as the P(2) site located between the planes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Efficacious Qubit Mappings for Quantum Simulations of the 12 C Rotational Band

Solving atomic nuclei from first principles places enormous demands on computational resources, which grow exponentially with increasing number of particles and the size of the space they occupy. We present first quantum simulations based on the variational quantum eigensolver for the low-lying structure of the 12C nucleus that provide acceptable bound-state energies even in the presence of noise. Here, we achieve this by taking advantage of two critical developments. First, we utilize an almost perfect symmetry of atomic nuclei that, in a complete symmetry-adapted basis, drastically reduces the size of the model space. Second, we use the efficacious Gray encoding, for which it has been recently shown that it is resource efficient, especially when coupled with a near band-diagonal structure of the nuclear Hamiltonian.

Encoding↗
DOE OSTI2024

Nuclear Computational Low Energy Initiative (NUCLEI)

The NUCLEI project, as defined by the scope of work, developed, implemented and run codes for large-scale computations of many topics in low-energy nuclear physics. Physics studied include the properties of nuclei and nuclear decays, nuclear structure and reactions, and the properties of nuclear matter. The computational techniques used include Quantum Monte Carlo, Configuration Interaction, Coupled Cluster, and Density Functional methods. The research program emphasized areas of high interest to current and possible future DOE nuclear physics facilities, including ATLAS and FRIB (nuclear structure and reactions, and nuclear astrophysics), TJNAF (neutron distributions in nuclei, few body systems, and electroweak processes), NIF (thermonuclear reactions), MAJORANA and FNPB (neutrinoless double-beta decay and physics beyond the Standard Model), and LANSCE (fission studies).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

The Technical, Economic, Risk, and Adoption Assessment for Evaluating Work Reduction Opportunities in the Nuclear Industry

Automation and cost-saving initiatives, such as process automation with advances in artificial intelligence, are gaining traction in modernization efforts across the nuclear industry. As these innovations are increasingly adopted, it becomes crucial to evaluate their impacts comprehensively. Various technical and economic attributes, along with risk and human readiness factors, must be achieved to ensure that innovative projects enabling automation and modernization are successful. However, no systematic or integrated framework exists that allows plants to evaluate these innovative projects. To address this gap, the Technical, Economic, Risk, and Adoption (TERA) assessment offers a structured method to evaluate innovative technologies, ensuring solutions meet both operational and safety standards. The TERA framework integrates the disparate perspectives to assess modernization opportunities in nuclear operations. It combines qualitative and quantitative models to evaluate the relationship between performance and business impacts, while also enabling continuous re-evaluation during project development. This approach helps plant owners identify high-priority opportunities, optimize cost savings, and minimize risks, ensuring projects remain on track to achieve desired returns. By providing a comprehensive, systematic methodology, TERA enables informed, data-driven decisions that support successful modernization efforts, enhancing efficiency, safety, and cost savings across nuclear operations. This paper explains the TERA framework and its benefits for the nuclear industry.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Decoding Zeolite Crystallization and Stage III in Nuclear Waste Glasses by Coupled Modeling and Experiments

Under specific conditions of pH and temperature, nuclear waste immobilization borosilicate glasses may exhibit a sudden acceleration in their corrosion kinetics (stage III)—a behavior that has been associated with the formation of zeolite crystals. Such accelerated dissolution may compromise the integrity of nuclear wasteforms placed in geological depositories. However, thus far, none of the available models is able to predict the thermodynamic propensity and kinetics of zeolite precipitation as a function of the solution conditions due to (i) a lack of fundamental knowledge regarding the nucleation & growth mechanisms of zeolitic phases, (ii) uncertainty regarding the compositions (types) of zeolites that may form and the rate-limiting step in their precipitation as a function of the solution conditions, and (iii) the complexities that arise due to the vast parametric space (i.e., solution chemistry, temperature, number of secondary phases, etc.) that encompass these systems under conditions of environmental exposure. To resolve these challenges, this project aimed to unambiguously identify the thermodynamic propensity for zeolite precipitation and the kinetics thereof as a function of the solution conditions (composition, pH, and temperature). To achieve this goal: 1) We identified the solution conditions and zeolite phases relevant to nuclear glass dissolution. 2) We performed a series of ab initio molecular dynamics (AIMD) simulations to compute the thermodynamic properties of a group of characteristic zeolites that features a large range of compositions, various hydration levels, a wide range of framework structures, and partial atomic site occupancies. 3) We released a first-of-a-kind self-consistent thermodynamic database that can be used to assess the kinetics and the stability fields of zeolitic phases within a Gibbs energy minimization (GEM) framework. 4) We developed a robust geochemical modeling method allowing us to predict the stability of secondary phases (including zeolites, calcium–silicate–hydrate gels, and clays) upon the dissolution of nuclear waste immobilization glasses. 5) We introduced a model that predicts the dissolution kinetics of a series of borosilicate nuclear waste immobilization glasses in terms of the topology of their atomic network. 6) We investigated the roles of the solution composition on the crystallization kinetics of phillipsite zeolites and tobermorite silicate hydrates. Via PNNL’s collaboration and engagement, this project directly supports DOE’s nuclear waste immobilization activities by offering a technical, science-based foundation that will (i) facilitate predictions of the long-term corrosion rates and extents of existing nuclear waste immobilization glasses to help ensure safe and successful vitrification operations, (ii) inform the development of advanced glass formulations with enhanced durability, and, (iii) enable cost-savings that result from making more decisive and hence less conservative predictions while offering higher levels of nuclear waste embedment in smaller, more compact glass volumes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Modeling and Simulation Development Pathways to Accelerating KP-FHR Licensing (Final Report)

This project assembles a strong U.S. industry and national laboratory team to complete scope of work. Kairos Power (KP), headquartered in Alameda, CA, is the leader of this effort and has built an internal team of highly competent engineers and managers with extensive combined experience in nuclear power, conventional power, product development, and licensing. INL, ANL, and LANL bring unique capabilities in advanced reactor R&D and licensing. The project funding source is the result of FOA No. 0001817, U. S. Industry Opportunities for Advanced Nuclear Technology Development. There has been on-going work and this Access Cooperative Research and Development Agreement (CRADA) will cover the remaining work scope of FOA 0001817. KP is implementing innovative strategies that can reduce the cost and accelerate the initial demonstration of the Kairos Power Fluoride-salt-cooled, High-temperature Reactor (KP-FHR) to meet the needs of the U.S. electricity market by 2030. Licensing of the KP-FHR could be significantly accelerated using advanced computing methods with sufficient predictive capabilities to be able to extrapolate potential response of the structure in different scenarios. However, currently used computational methods heavily rely on empirical fits and cannot be used for extrapolation. The scope focuses on improving the modeling capability in the NEAMS Grizzly structural mechanics code and the NEAMS BISON fuel performance code and the NEAMS SAM systems analysis code. This work leverages the expertise and know-how gathered in three DOE National Laboratories – INL, ANL, and LANL.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗