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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

IER 501: Pulsed Neutron Die-Away Experiments at LLNL [Slides]

This presentation notes the purpose of Pulsed Neutron Die Away (PNDA) for Thermal Neutron Scattering Law (TSL) validation. PNDA for TSL validation does not require fissile material. It consists of simple target shapes and compositions and is only sensitive to absorption and scattering of target medium. Well conducted experiments have uncertainties of 0.1% - 0.5%. This presentation also covers Pulsed Neutron Die Away Experiments, while noting previous experiments such as the FY22 PNDA Experiments. The presentation concludes with FY23 benchmarking efforts and a timeline to FY24.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2005

Liquid Nitrogen Removal of Critical Aerospace Materials

Identification of innovative solutions to unique materials problems is an every-day quest for members of the aerospace community. Finding a technique that will minimize costs, maximize throughput, and generate quality results is always the target. United Space Alliance Materials Engineers recently conducted such a search in their drive to return the Space Shuttle fleet to operational status. The removal of high performance thermal coatings from solid rocket motors represents a formidable task during post flight disassembly on reusable expended hardware. The removal of these coatings from unfired motors increases the complexity and safety requirements while reducing the available facilities and approved processes. A temporary solution to this problem was identified, tested and approved during the Solid Rocket Booster (SRB) return to flight activities. Utilization of ultra high-pressure liquid nitrogen (LN2) to strip the protective coating from assembled space shuttle hardware marked the first such use of the technology in the aerospace industry. This process provides a configurable stream of liquid nitrogen (LN2) at pressures of up to 55,000 psig. The performance of a one-time certification for the removal of thermal ablatives from SRB hardware involved extensive testing to ensure adequate material removal without causing undesirable damage to the residual materials or aluminum substrates. Testing to establish appropriate process parameters such as flow, temperature and pressures of the liquid nitrogen stream provided an initial benchmark for process testing. Equipped with these initial parameters engineers were then able to establish more detailed test criteria that set the process limits. Quantifying the potential for aluminum hardware damage represented the greatest hurdle for satisfying engineers as to the safety of this process. Extensive testing for aluminum erosion, surface profiling, and substrate weight loss was performed. This successful project clearly demonstrated that the liquid nitrogen jet possesses unique strengths that align remarkably well with the unusual challenges that space hardware and missile manufacturers face on a regular basis. Performance of this task within the confines of a critical manufacturing facility marks a milestone in advanced processing.

Noah, Donald E.↗
DOE OSTI2023

Incorporating Full Elastodynamic Effects and Dipping Fault Geometries in Community Code Verification Exercises for Simulations of Earthquake Sequences and Aseismic Slip (SEAS)

ABSTRACT Numerical modeling of earthquake dynamics and derived insight for seismic hazard relies on credible, reproducible model results. The sequences of earthquakes and aseismic slip (SEAS) initiative has set out to facilitate community code comparisons, and verify and advance the next generation of physics-based earthquake models that reproduce all phases of the seismic cycle. With the goal of advancing SEAS models to robustly incorporate physical and geometrical complexities, here we present code comparison results from two new benchmark problems: BP1-FD considers full elastodynamic effects, and BP3-QD considers dipping fault geometries. Seven and eight modeling groups participated in BP1-FD and BP3-QD, respectively, allowing us to explore these physical ingredients across multiple codes and better understand associated numerical considerations. With new comparison metrics, we find that numerical resolution and computational domain size are critical parameters to obtain matching results. Codes for BP1-FD implement different criteria for switching between quasi-static and dynamic solvers, which require tuning to obtain matching results. In BP3-QD, proper remote boundary conditions consistent with specified rigid body translation are required to obtain matching surface displacements. With these numerical and mathematical issues resolved, we obtain excellent quantitative agreements among codes in earthquake interevent times, event moments, and coseismic slip, with reasonable agreements made in peak slip rates and rupture arrival time. We find that including full inertial effects generates events with larger slip rates and rupture speeds compared to the quasi-dynamic counterpart. For BP3-QD, both dip angle and sense of motion (thrust versus normal faulting) alter ground motion on the hanging and foot walls, and influence event patterns, with some sequences exhibiting similar-size characteristic earthquakes, and others exhibiting different-size events. These findings underscore the importance of considering full elastodynamics and nonvertical dip angles in SEAS models, as both influence short- and long-term earthquake behavior and are relevant to seismic hazard.

Geochemistry & Geophysics↗
NASA NTRS2003

The Interaction Between an Insoluble Particle and an Advancing Solid/Liquid Interface: Micro-Gravity Experiments and Theoretical Developments

The interaction of an insoluble particle with an advancing solid/liquid interface (SLI) has been a subject of investigation for the past four decades. While the original interest stemmed from geology applications (e.g., frost heaving in soil), researchers soon realized that the complex science associated with such an interaction is relevant to many other scientific fields encompassing metal matrix composites (MMCs), high temperature superconductors, inclusion management in steel, growth of monotectics, and preservation of biological cells. During solidification of a liquid containing an insoluble particle, three distinct interaction phenomena have been experimentally observed: instantaneous engulfment of the particle, continuous pushing, and particle pushing followed by engulfment. It was also observed that for given experimental conditions and particle size there is a critical solidification velocity, V(sub cr), above which a particle is engulfed. During solidification of MMCs pushing leads to particle agglomeration at the grain boundaries and this has detrimental effects on mechanical properties of the casting. Consequently, the process must be designed for instantaneous engulfment to occur. This implies the development of accurate theoretical models to predict V(sub cr), and perform benchmark experiments to test the validity of such models. Although considerable progress has been made in understanding the pushing/engulfment phenomenon (PEP), its quantification in terms of the material and processing parameters remains a focus of research. Since natural convection currents occurring during terrestrial solidification experiments complicate the study of PEP, execution of experiments on the International Space Station (ISS) has been approved and funded by NASA. Extensive terrestrial (1g) experiments and preliminary micro-gravity (mu g) experiments on two space shuttle missions have been conducted in preparation for future experiments on the ISS. The investigated systems included metal-ceramic particles (pure aluminum - zirconia particles) and transparent organic - non-reactive particles (succinonitrile - polystyrene and biphenyl - glass). This paper will discuss the experimental results obtained in both lg and pg conditions and the influence of the natural convection on V(sub cr). A summary of past mathematical models and our recent theoretical developments will also be presented to explain the experimentally observed particle/SLI interaction.

Catalina, Adrian V.↗
NASA NTRS2003

Computational Fluid Dynamics Technology for Hypersonic Applications

Several current challenges in computational fluid dynamics and aerothermodynamics for hypersonic vehicle applications are discussed. Example simulations are presented from code validation and code benchmarking efforts to illustrate capabilities and limitations. Opportunities to advance the state-of-art in algorithms, grid generation and adaptation, and code validation are identified. Highlights of diverse efforts to address these challenges are then discussed. One such effort to re-engineer and synthesize the existing analysis capability in LAURA, VULCAN, and FUN3D will provide context for these discussions. The critical (and evolving) role of agile software engineering practice in the capability enhancement process is also noted.

Gnoffo, Peter A.↗
DOE OSTI2021

A Verification of Flux Sensitivity Estimates Using the MCNP Tally Perturbation Tool

Nuclear data is commonly used in applications such as nuclear nonproliferation, safeguards, and criticality safety. More specifically, nuclear data is used in predictive simulation codes like the Monte-Carlo N-Particle (MCNP ® ) transport code, Serpent, and similar radiation transport codes. The improvement of nuclear data enables more precise and accurate simulations, which result in higher fidelity designs and reduced operational/procedural costs. Therefore, the improvement of nuclear data is of paramount importance across the nuclear community. Nuclear data is improved and validated through integral benchmark experiments. The design of benchmark experiments is an extensive process; therefore, these experiments are often optimized on multiple characteristics, including sensitivity to the nuclear data, during the design process. Sensitivity is a measure of how much a quantity changes due to changes in independent variables such as experimental configuration. An experimental design that has a larger sensitivity to the nuclear data of interest will have a larger impact on the accuracy and precision of the validated data. Past integral benchmark experiments have primarily used the effective multiplication factor ($k_{eff}$) as the predominant measured quantity; however, experiments designed with other quantities in mind would be able to optimize on validating different areas of the nuclear data. A primary goal of the EUCLID project is to design, constrain, and reduce compensating errors in experiments focused on quantities other than $k_{eff}$ to better validate nuclear data across the board. Currently, there is a capability in MCNP to easily calculate the sensitivity of $k_{eff}$ to specific nuclear data of numerous reactions types and isotopes (KSEN card); however, the sensitivity of other quantities must be estimated in more strenuous manners. For example, the perturbation feature (PERT card) of MCNP can be used to estimate first-order sensitivities of some response in fixed source simulations. A recent announcement revealed that the first- and second-order perturbation features in previous releases of MCNP contained a bug. It was identified that particles were being scored into the wrong energy bin. The bug is in the most recent public release (MCNP6.2); however, a patch has been added to the most up to date version (MCNP6.2.2) that has not been released publicly. A direct comparison of the PERT card results for an F4 (neutron flux averaged over a cell) tally before and after the patch are shown in figure 1. All simulations used in the sensitivity estimates in this report were performed with MCNP6.2.2. This work verifies the patched MCNP perturbation tool by comparing first order sensitivities made using the PERT card to estimates made using manual perturbation of the compact ENDF (ACE) files.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Creating Novel Gas Separation Constructs by Manipulating Free-Volume Distributions in Polymer-Grafted Nanoparticles

Polymer membranes are critical to sustainability applications, and in this work we focused on one key application, the efficient separation of gas mixtures. Despite their widespread use, important challenges remain in the use of polymer membranes in this context – i.e., finding membrane materials with selectively improved transport of the desired mixture component(s) while possessing enhanced strength and improved aging behavior relative to the best current benchmarks. The important separation figures of merit are the gas flux, which is proportional to the permeability, P i = D i × S i (Di is the gas diffusivity and S i its solubility coefficient) and selectivity (i.e., gas purity,α ij = P i /P j ). The goal is to simultaneously maximize P i and α ij . Most research to date has empirically targeted the development of new glassy polymers with improved separation performance. These include thermally rearranged (TR) polymers and polymers of intrinsic microporosity (PIMs).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Verified, Archived Library of Inputs and Data (VALID) Online Repository [Slides]

VALID continues to serve as a library of high-quality models used for evaluating SCALE and nuclear data. Large number of cases are in the pipeline. Online repository is available for use. Future plans include simplifying the process for adding cases, including additional models outside the ICSBEP Handbook (HTC models, DNCSH models, International Handbook of Evaluated Reactor Physics Benchmark Experiments [IRPhE], SINBAD, etc.), and increasing the availability of models and results for external users.

KENO↗
DOE OSTI2026

Life Cycle Inventories and Data Gap Analysis for Rare Earth Elements: Neodymium and Dysprosium from Mining to Magnets

The United States demand for Neodymium-Iron-Boron (NdFeB) magnets, produced from rare earth elements (REEs) such as (Nd) and Dysprosium (Dy), far exceeds its nascent domestic production capacity, rendering it reliant on vulnerable global supply chains dominated by China. To guide research and development investments in securing U.S. REE supply, defensible benchmark metrics across environmental, economic, and social dimensions are needed. In this study, we built globally-representative, process-based cradle-to-cradle life cycle inventories for Nd and Dy in NdFeB magnets lifecycles, encompassing primary material acquisition, beneficiation, smelting and refining, metal processing, specialty alloy and chemical transformation, subcomponent manufacturing, consumer application (use phase) and end-of-life management. We carried out detailed literature review, and applied process engineering principles to build industry-representative upscaled life cycle inventories for both metals. We used these models to conduct bottom-up literature review and gap analysis on existing literature, compilation of data sources for each life cycle stage (and transformations where necessary), and a preliminary technoeconomic analysis (TEA)/life cycle costing analysis (LCCA). Findings from this work emphasize the need for metal specific, representative REE LCIs to establish robust benchmarks for advancing sustainable REE technologies and guiding R&D in REE supply chains.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1994

Inducer analysis/pump model development

Current design of high performance turbopumps for rocket engines requires effective and robust analytical tools to provide design information in a productive manner. The main goal of this study was to develop a robust and effective computational fluid dynamics (CFD) pump model for general turbopump design and analysis applications. A finite difference Navier-Stokes flow solver, FDNS, which includes an extended k-epsilon turbulence model and appropriate moving zonal interface boundary conditions, was developed to analyze turbulent flows in turbomachinery devices. In the present study, three key components of the turbopump, the inducer, impeller, and diffuser, were investigated by the proposed pump model, and the numerical results were benchmarked by the experimental data provided by Rocketdyne. For the numerical calculation of inducer flows with tip clearance, the turbulence model and grid spacing are very important. Meanwhile, the development of the cross-stream secondary flow, generated by curved blade passage and the flow through tip leakage, has a strong effect on the inducer flow. Hence, the prediction of the inducer performance critically depends on whether the numerical scheme of the pump model can simulate the secondary flow pattern accurately or not. The impeller and diffuser, however, are dominated by pressure-driven flows such that the effects of turbulence model and grid spacing (except near leading and trailing edges of blades) are less sensitive. The present CFD pump model has been proved to be an efficient and robust analytical tool for pump design due to its very compact numerical structure (requiring small memory), fast turnaround computing time, and versatility for different geometries.

Cheng, Gary C.↗
NASA NTRS2003

The Stable Isotope Fractionation of Abiotic Reactions: A Benchmark in the Detection of Life

One very important tool in the analysis of biogenic, and potentially biogenic, samples is the study of their stable isotope distributions. The isotope distribution of a sample depends on the process(es) that created it. One important application of the analysis of C & N stable isotope ratios has been in the determination of whether organic matter in a sample is of biological origin or was produced abiotically. For example, the delta C-13 of organic material found embedded in phosphate grains was cited as a critical part of the evidence for life in 3.8 billion year old samples. The importance of such analysis in establishing biogenicity was highlighted again by the role this issue played in the recent debate over the validity of what had been accepted as the Earth s earliest microfossils. These kinds of analysis imply a comparison with the fractionation that one would have seen if the organic material had been produced by alternative, abiotic, pathways. Could abiotic reactions account for the same level of fractionation? Additionally, since the fractionation can vary between different abiotic reactions, understanding their fractionations can be important in distinguishing what reactions may have been significant in the formation of different abiological samples (such as extraterrestrial samples). There is however, a scarcity of data on the fractionation of carbon and nitrogen by abiotic reactions. In order to interpret properly what the stable isotope ratios of samples tell us about their biotic or abiotic nature, more needs to be known about how abiotic reactions fractionate C and N. Carbon isotope fractionations have been studied for a few abiotic processes. These studies presumed the presence of a reducing atmosphere, focusing on reactions involving spark discharge, W photolysis of reducing gas mixtures, and cyanide polymerization in the presence of ammonia. They did find that the initial products showed a depletion in I3C with values in the range of a few per mil to as low as -60 % (potentially comparable to that which accompanies the biosynthesis of organic matter). We need to understand what kind of fractionations are observed with reactions under the non-reducing or mildly reducing conditions now thought to be present on the early Earth. While nitrogen is receiving increased attention as a tool for these kinds of analyses, almost nothing is known about the isotope fractionation that one would expect for abiotic sources of fixed/reduced nitrogen. This project will measure the fixation from a series of abiotic reactions that may have been present on the early Earth (and other terrestrial planets) and produced organic material that could have ended up in the rock record. The work will look at a number of reactions, under a non- reducing, or mildly reducing, atmosphere, covering sources of prebiotic organic C & N from shock heating, to photochemistry, to hydrothermal reactions. Some reactions that we plan to study are; Shock heating of a non-reducing atmosphere to produce CO and NO (in collaboration with Chris McKay), formation of formaldehyde (and related compounds) from COY the formation of ammonia from nitrogen oxides (ultimately from NO) by ferrous iron reduction, and the hydrothermal synthesis of compounds including the hydrocarboxylation/hydrocarbonylation reaction (in collaboration with George Cody), reactions of oxalate to form hydrocarbons and other oxygenated compounds and the formation of lipids from oxalic/formic acid (in collaboration with Tom McCollom), and reactions of carbon monoxide & carbon dioxide with N2, ammonia or nitritehitrate to form hydrogen cyanide, nitriles, ammonia/amines and nitrous

Summers, David P.↗
DOE OSTI2026

Beam loss modeling and mitigation due to intra-beam stripping

Intra-Beam Stripping (IBS) is a critical beam loss mechanism in high-intensity H- linacs and presents a significant limitation to increasing beam power. This work presents a computational framework to evaluate and mitigate IBS-induced beam loss along the Spallation Neutron Source (SNS) LINAC. Our calculation is based on an analytic theory and involves evaluation of a 9D integral using the Monte-Carlo technique. We first benchmarked our calculations against simplified, analytically solvable cases. We then applied our algorithm to Gaussian bunches with a known probability density function (PDF). We next expanded our algorithm to arbitrary bunch distributions using the Neural Spline Flow (NSF) models trained on PyORBIT tracking data. In the future, we plan to validate our algorithm experimentally and apply it to design IBS mitigation strategies.

Nln, Shivam [ORNL]↗
DOE OSTI2023

Zirconium Scattering Sensitivity in Neutron Transport Calculations of Multiplying Systems [Slides]

This presentation touches on motivation and applications of Zirconium. Performance of evaluated libraries on double and quasi differential experiments is considered. Additionally, the performance of evaluated libraries in select ICSBEP benchmarks is considered. Provided is a detailed look in the performance of evaluated libraries in preliminary benchmark configurations for IER-516: Zirconium Test Assembly (ZTA). Conclusions and recommended experiments to satisfy Zirconium scattering nuclear data needs are presented.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

HALEU Experiments [Slides]

The DNCSH, through the HALEU Availability Program, needs publicly available benchmarks supporting Advanced Reactor Fuel Cycle and Transportation. LANL is uniquely positioned to support this goal, with its past experiments at TA-18, planned experiments at NCERC, experiment design capability, and ties to industry. The Deimos experiment will be executed soon and serve as a premier benchmark for the program. LANL expects to submit proposals to the call when issued (soon). Additional experiments supporting DNCSH have already been designed

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Recent Advances in Scalable, High‐Mass Loaded Electrodes for Grid‐Scale Energy Storage

Abstract The increasing electrification of daily life as well as the intermittent characteristic of renewable energy sources require viable solutions for grid‐scale energy storage. Critical considerations for grid storage applications are electrode mass loading and electrode thickness as these features govern battery pack energy density, an important factor in determining manufacturing costs. For this reason, there is increased interest in finding new ways of creating electrodes with high mass loading. In this review, various high‐mass loading fabrication approaches are considered for positive electrode materials used in batteries. The benchmark used for high mass loading is above 20 mg cm −2 , which is higher than the practical limit of conventional tape‐cast electrodes. Several different electrode approaches are described including templating, laser patterning, direct ink writing, and electrodeposition. A variety of materials are covered with the most prominent being LiFe(PO 4 ) (LFP), LiCoO 2 (LCO), and MnO 2 . In research to date, scalable electrochemical performance has been achieved with mass loadings over 100 mg cm −2 . Areal capacities as high as 14.7 mAh cm −2 at 1.82 mA cm −2 have been achieved in non‐aqueous electrolytes and 9.8 mAh cm −2 at 10 mA cm −2 in aqueous electrolytes. These results establish that the mass loading of electrodes can be scaled up without compromising their electrochemical properties.

White, Makena [Department of Materials Science and↗
DOE OSTI2022

Disentangling the role of bond lengths and orbital symmetries in controlling $T_c$ of optimally doped YBa 2 Cu 3 O 7

Optimally doped YBa 2 Cu 3 O 7 (YBCO) has a high critical temperature, at 92 K. It is largely believed that Cooper pairs form in YBCO and other cuprates because of spin fluctuations, but the issue and the detailed mechanism are far from settled. In the present work, we employ a state-of-the-art first-principles ability to compute both the low- and high-energy spin fluctuations in optimally doped YBCO. We benchmark our results against recent inelastic neutron scattering and resonant inelastic x-ray scattering measurements. Further, we use strain as an external parameter to modulate the spin fluctuations and superconductivity. We disentangle the roles of barium-apical oxygen hybridization, interlayer coupling, and orbital symmetries by applying an idealized strain, and also a strain with a fully relaxed structure. We show that shortening the distance between Cu layers is conducive to enhanced Fermi surface nesting, which increases spin fluctuations and drives up $T_c$. However, when the structure is fully relaxed, electrons flow to the $d_{z^2}$ orbital as a consequence of a shortened Ba-O bond, which is detrimental for superconductivity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Iterative quantum optimization of spin glass problems with rapidly oscillating transverse fields

In this work, we introduce a new iterative quantum algorithm, called Iterative Symphonic Tunneling for Satisfiability problems (IST-SAT), which solves quantum spin glass optimization problems using high-frequency oscillating transverse fields. IST-SAT operates as a sequence of iterations, in which bitstrings returned from one iteration are used to set spin-dependent phases in oscillating transverse fields in the next iteration. Over several iterations, the novel mechanism of the algorithm steers the system toward the problem ground state. We benchmark IST-SAT on sets of hard MAX-3-XORSAT problem instances with exact state vector simulation, and report polynomial speedups over Trotterized adiabatic quantum computation and the best known semi-greedy classical algorithm. When IST-SAT is seeded with a sufficiently good initial approximation, the algorithm converges to exact solution(s) in a polynomial number of iterations. Our numerical results identify a critical Hamming radius, or quality of initial approximation, where the time-to-solution crosses from exponential to polynomial scaling in problem size. This work proposes IST-SAT a new quantum algorithm, which improves upon solutions obtained from initial classical or quantum optimization algorithms. The steering mechanism we introduce through IST-SAT presents a new path toward achieving quantum advantage in optimization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Identifying Dense NiSe 2 /CoSe 2 Heterointerfaces Coupled with Surface High-Valence Bimetallic Sites for Synergistically Enhanced Oxygen Electrocatalysis

Constructing heterostructures with abundant interfaces is essential for integrating the multiple functionalities in single entities. Herein, the synthesis of NiSe 2 /CoSe 2 heterostructures with different interfacial densities via an innovative strategy of successive ion injection is reported. The resulting hybrid electrocatalyst with dense heterointerfaces exhibits superior electrocatalytic properties in an alkaline electrolyte, superior to other benchmarks and precious metal catalysts. Advanced synchrotron techniques, post structural characterizations, and density functional theory (DFT) simulations reveal that the introduction of atomic-level interfaces can lower the oxidation overpotential of bimetallic Ni and Co active sites (whereas Ni$^{2+}$ can be more easily activated than Co$^{2+}$) and induce the electronic interaction between the core selenides and surface in situ generated oxides/hydroxides, which play a critical role in synergistically reducing energetic barriers and accelerating reaction kinetics for catalyzing the oxygen evolution. Hence, the heterointerface structure facilitates the catalytic performance enhancement via increasing the intrinsic reactivity of metallic atoms and enhancing the synergistic effect between the inner selenides and surface oxidation species. This work not only complements the understanding on the origins of the activity of electrocatalysts based on metal selenides, but also sheds light on further surface and interfacial engineering of advanced hybrid materials.

36 MATERIALS SCIENCE↗