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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A semi-agnostic ansatz with variable structure for variational quantum algorithms

Quantum machine learning—and specifically Variational Quantum Algorithms (VQAs)—offers a powerful, flexible paradigm for programming near-term quantum computers, with applications in chemistry, metrology, materials science, data science, and mathematics. Here, one trains an ansatz, in the form of a parameterized quantum circuit, to accomplish a task of interest. However, challenges have recently emerged suggesting that deep ansatzes are difficult to train, due to flat training landscapes caused by randomness or by hardware noise. This motivates our work, where we present a variable structure approach to build ansatzes for VQAs. Our approach, called VAns (Variable Ansatz), applies a set of rules to both grow and (crucially) remove quantum gates in an informed manner during the optimization. Consequently, VAns is ideally suited to mitigate trainability and noise-related issues by keeping the ansatz shallow. We employ VAns in the variational quantum eigensolver for condensed matter and quantum chemistry applications, in the quantum autoencoder for data compression and in unitary compilation problems showing successful results in all cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Modern data analytics approach to predict creep of high-temperature alloys

A breakthrough in alloy design often requires comprehensive understanding in complex multi-component/multi-phase systems to generate novel material hypotheses. We introduce a modern data analytics workflow that leverages high-quality experimental data augmented with advanced features obtained from high-fidelity models. Herein, we use an example of a consistently-measured creep dataset of developmental high-temperature alloy combined with scientific alloy features populated from a high-throughput computational thermodynamic approach. Extensive correlation analyses provide ranking insights for most impactful alloy features for creep resistance, evaluated from a large set of candidate features suggested by domain experts. We also show that we can accurately train machine learning models by integrating high-ranking features obtained from correlation analyses. Consequently, the demonstrated approach can be extended beyond incorporating thermodynamic features, with input from domain experts used to compile lists of features from other alloy physics, such as diffusion kinetics and microstructure evolution.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Transition in helium bubble strengthening of copper from quasi-static to dynamic deformation

Damage from low-temperature irradiation and the subsequent degradation of materials performance pose significant challenges for the storage of radioactive materials and for peripheral components in some nuclear reactor designs. Fully understanding the mechanical behavior of such materials requires test data for strain rates in both the quasi-static (< 10/s) and dynamic (>> 10/s) regimes. While dynamic testing has generally been avoided in the past for neutron irradiated (contamination concerns) and ion irradiated (insufficient volume) materials, surface-sensitive Richtmyer-Meshkov instability (RMI) tests were used in the present work to overcome these limitations. Here, nanopillar compression, nanoindentation, and RMI testing data from a helium implanted surface layer (~10 µm thick) were compiled to explore the effects of helium bubbles on the materials strength of high-purity copper at strain rates of 0.001/s – 10 8 /s. While nano-mechanical testing revealed increases in yield strength and hardness with increasing helium dose from 1000 to 4000 appm He, RMI indicated no significant changes in strength as compared to unimplanted copper. Here, this discrepancy in behavior was rationalized through a combination of recent literature and follow-on molecular dynamics (MD) simulations, leading to the conclusion that the nanoscale helium bubbles acting as dispersed barriers to dislocation motion at quasi-static strain rates collapse under shock loading and cease to be effective barriers at high strain rates.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Correlation of SWIR imaging with LPBF 304L stainless steel part properties

In the Laser Powder Bed Fusion (LPBF) process, the local thermal history can vary significantly over a part as the heat transfer characteristics and the laser scan path are geometry dependent. The variations introduce the potential for defects that lead to part failure, some of which are difficult to identify non-destructively with common ex-situ evaluation techniques. These defects include significant microstructural and mechanical property differences in the part interiors. In this paper, thermal features are extracted from in-situ Short-Wave Infrared (SWIR) imaging measurements to compile voxel based part representations and understand how the complexities in the thermal history affect part performance. The deviations in thermal features due to different laser processing parameters and complex scan pathing are explored. Empirical correlations are developed to map thermal features with the engineering properties (bulk yield strength, area percentage porosity, and local state) of 304L stainless steel parts manufactured by LPBF. Processing modes (insufficient melting and keyholing) are determined by mapping part property measurements with multiple thermal features. Generating the relationships between thermographic measurements and resulting SLM part properties lays the foundation for in-situ part qualification.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Nuclear chiral doublet bands data tables

Since the prediction of nuclear chirality in 1997, tremendous progresses both theoretically and experimentally have been achieved. Experimentally, 59 chiral doublet bands in 47 chiral nuclei (including 8 nuclei with multiple chiral doublets) have been reported in A∼80, 100, 130, and 190 mass regions. The spins, parities, energies, ratios of the magnetic dipole transition strengths to the electric quadrupole transition strengths, and related references for these nuclei are compiled and listed. For these nuclei with the magnetic dipole transition strengths and the electric quadrupole transition strengths measured, the corresponding results are given. A brief discussion is provided after the presentation of energy E, energy difference ΔE, energy staggering parameter S(I), rotational frequency ω, kinematic moment of inertia J{sup (1)}, dynamic moment of inertia J{sup (2)}, and ratio of the magnetic dipole transition strength to the electric quadrupole transition strength B(M1)∕B(E2) versus spin I in each mass region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Energies and transition parameters of fusion interest in Cr-like ions between Hf XLIX and Au LVI

Using fully relativistic multiconfiguration Dirac–Fock (MCDF) wavefunctions in an active space approximation, we perform systematic calculations of the energies, wavelengths, and lifetimes for the lowest 143 levels belonging to the 3p{sup 6}3d{sup 6} and 3p{sup 5}3d{sup 7} configurations of Cr-like ions between Hf XLIX and Au LVI. Additionally, line strengths, oscillator strengths, and radiative rates for the electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) transitions among these levels are reported. In the calculations, the contributions from Breit interaction (BI) and quantum electrodynamics (QED) corrections to the wave functions are taken into account (the addition of the BI and QED in CI affects both the wave functions and the level energies). For some excited states, there are no other theoretical and/or experimental data to compare with to illustrate the quality of our results/assess the accuracy. A similar calculation has been performed with the Flexible Atomic Code (FAC), using W LI as an example. The results obtained in this work are compared with the data compiled in the Atomic Spectra Database (ASD) of the National Institute of Standards and Technology (NIST) and other available theoretical/experimental information. Satisfactory agreement is found between them. The energies agree within 0.8% with the experimental results, and the M1 transition rates agree within 5% with other theoretical results. The present results are more extensive than those from previous calculations and considerably expand the existing data sets for Cr-like ions. This study should be beneficial for the analysis of experimental spectra and modeling of fusion plasmas.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Vibrationally resolved ionization cross sections for the ground state and electronically excited states of the hydrogen molecule and its isotopomeres

An existing set of vibrationally resolved ionization cross section for the ground state and the first excited states of the hydrogen molecule, based on the Gryzinski method, is extended by cross sections for the isotopomeres of H{sub 2} (i.e. D{sub 2}, T{sub 2}, HD, HT, and DT), both for non-dissociative and dissociative ionizations. The comparison of cross sections for non-dissociative ionization of H{sub 2} with results obtained by the Molecular Convergent Close-Coupling method gives a very good agreement. The compiled tables give non-dissociative and dissociative cross sections for the ground state and the five energetically lowest electronically excited states of H{sub 2} and its isotopomeres, in each case for the first 9 vibrational levels. Data for all vibrational levels of the excited states is available online.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Robust inference of ecosystem soil water stress from eddy covariance data

Eddy covariance data are invaluable for determining ecosystem water use strategies under soil water stress. However, existing stress inference methods require numerous subjective data processing and model specification assumptions whose effect on the inferred soil water stress signal is rarely quantified. These uncertainties may confound the stress inference and the generalization of ecosystem water use strategies across multiple sites and studies. In this research, we quantify the sensitivity of soil water stress signals inferred from eddy covariance data to the prevailing data and modeling assumptions (i.e., their robustness) to compile a comprehensive list of sites with robust soil water stress signals and assess the performance of current stress inference methods. To accomplish this, we identify the most prevalent assumptions from the literature and perform a digital factorial experiment to extract probability distributions of plausible soil water stress signals and model performance at 151 FLUXNET2015 and AmeriFlux-FLUXNET sites. Here, we develop a new framework that summarizes these probability distributions to classify and rank the robustness of each site’s soil water stress signal, which we display with a user-friendly heat map. We estimate that only 5%–36% of sites exhibit a robust soil water stress signal due to deficient model performance and poorly constrained ecosystem water use parameters. We also find that the lack of robustness is site-specific, which undermines grouping stress signals by broad ecosystem categories or comparing results across studies with differing assumptions. Lastly, existing stress inference methods appear better suited for eddy covariance sites with grass/annual vegetation. Our findings call for more careful and consistent inference of ecosystem water stress from eddy covariance data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Thermal hydraulic model of the molten salt reactor experiment with the NEAMS system analysis module

System analysis codes have a long history of providing best-estimate and conservative safety analysis for both light water and advanced reactor technologies, including molten salt reactors. As interest continues to expand with advanced reactor concepts, system analysis codes will need revisions to accommodate the behavior of these technologies. Legacy system analysis codes will need to be updated to the latest numerical techniques to shorten execution time and increase the accuracy of results. One example of a modern system analysis code that already encompasses these characteristics is the System Analysis Module (SAM). One key objective of this paper was to review available information for system code modeling of the Molten Salt Reactor Experiment (MSRE) from sources in the open literature and collect the information from these open sources in one place for the first time. This supports the potential objective of developing an open specification for system code analysis for MSRE steady state and transients with and without reactor kinetics. Data from actual MSRE tests will serve as the basis for code-to-code comparison exercises, including the MSRE zero power physics tests, the fuel pump start-up and coast down tests, and the natural circulation transient. The objective is to produce a code-to-code benchmark with a standardized set of comparison problems, recognizing the limitations of the original data. To demonstrate an initial application of this objective and the usefulness of compiling this open data, two Molten Salt Reactor Experiment (MSRE)-related models were developed to evaluate SAM for liquid fueled molten salt reactors. One model was the SAM MSRE hydraulic mockup, which provided experimental data for pressure drop measurements. The second model was the complete MSRE primary loop. The MSRE primary loop model incorporated a fluoride salt fuel/coolant with heat transfer in both the core and heat exchanger. For both the hydraulic mockup and MSRE primary loop models, a holistic 1-D system description was built using open documentation, an open description that can be readily modified and applied for any system analysis code. SAM results for the pressure drop of the hydraulic mockup model were within 6% with measurements. Coolant temperatures for the primary loop model matched the expected axial change in temperature from historical calculations. Using alternative coolant properties obtained from the literature, corresponding to salts with different actinide contents, returned similar trends in core temperature profiles. A thermal hydraulic demonstration of a loss-of-flow transient showed the importance of coupling SAM thermal hydraulic analysis to neutronics. Here, this coupling is essential for simulating MSR transients with system analysis codes.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Monte Carlo neutronics benchmarks on nuclear fuel depletion: A review

Monte Carlo (MC) neutronics codes are used widely for academic and industrial needs. Several schemes of coupling MC neutronics code with isotope generation and depletion code exist, which are used for performing nuclear fuel depletion simulations. These simulations can estimate the inventory of isotopes in neutron irradiated nuclear reactor fuel. However, the accuracy of these simulations shall be validated through experiments. MC codes are seldom validated by isotopic benchmarks compared to criticality benchmarks. This work compiles and analyzes the fuel depletion benchmarks and validations used to analyze the performance of MC-based fuel depletion neutronics codes. Analyses of these benchmarks and validations showed that the computed concentrations of 133 Cs, 135 Cs, 137 Cs, 148 Nd, 239 Pu, 240 Pu, and 241 Pu in the irradiated fuel by the depletion codes agreed with the measured values within 10% error. However, the computed concentrations of 125 Sb, 242 Cm, 243 Cm, 244 Cm, 245 Cm, and 246 Cm had errors more than 15% compared to the measured values. As a result, Ventina depletion code showed the most accurate predictions for the greatest number of isotope concentrations compared to ORIGEN2 and CINDER90.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

The origin, transport, and evolution of ash in engine particulate filters

Engine particulate filters have been widely applied across the world to control engine exhaust particulate matter (or particulate number) emissions. With increasing vehicle mileage, ash accumulation deteriorates vehicle fuel economy and complicates on-board control. Extending filter service life with ash loading has significant economic and environmental impacts. Many studies have been conducted in characterizing ash accumulation and evaluating its impacts on filter performance. However, comprehensive reviews covering all the key issues in the field are rather rare. This paper reviews the extensive prior research on filter ash, and not only summarizes the experimental observations but also elucidates the fundamental mechanisms. The review covers the areas of ash origin, accumulation, transport, evolution, and artificial acceleration methods. The previously reported data of ash properties is compiled and analyzed. Furthermore, the advantages and disadvantages of ash acceleration approaches are also discussed in detail. Based on the cumulative understanding, a few potential ways to improve ash management are discussed in this paper. In summary, the present work systematically reviews the previous observations and understanding of ash aging in particulate filters and identifies areas that need further research, which can be useful guidance for future studies.

42 ENGINEERING↗
DOE OSTI2023

Market analysis for the integration of new power technologies: A case study of the deployment of hybrid fossil-based generator plus energy storage (ES-FE)

This study examines the national landscape of hybridized fossil energy (FE) power plants with energy storage (ES) technologies (“ES-FE”) and presents the compilation of an ES-FE dataset, which includes over 65 ES-FE projects and concepts in the United States, comprising approximately 500 MWh of co-located ES capacity with FE power plants. This study also estimates the economic feasibility of adding ES to existing FE power plants by characterizing the potential revenues that can be generated by the ES component through flexibility and capacity value. The analysis focuses on ES technologies with 2- to 10-h. durations located in four U.S. independent system operators (ISOs): Midcontinent ISO (MISO), Electric Reliability Council of Texas (ERCOT), PJM Interconnection (PJM), and California ISO (CAISO), which have +70,000 MW of combined FE power capacity that could add ES. Annual revenues are estimated for the ES component using a what-if-analysis approach, for capacity value, price arbitrage, or ancillary services provision. The results show that annual revenues depend on the end-use storage service, wholesale electricity and capacity market prices, and ES technology operation parameters such as discharging duration and cycling frequency. When performing a sensitivity analysis, ES accrues $7–178/kW-yr. via price arbitrage and ancillary services provision in the four ISOs, and $13–92/kW-yr. when providing capacity value only in MISO and PJM. A cash flow analysis is performed to estimate the net present value (NPV) of the ES addition using a range of ES costs. The study finds that for most ES technologies considered, these revenues alone are insufficient to achieve economic feasibility. In conclusion, of the 1645 total runs analyzed, 115 had positive NPVs (7%). Therefore, other revenue streams or monetizable benefits are necessary to achieve the break-even point.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2026

A review of energy storage for power system resilience: Functions, metrics, and applications

Aging infrastructure, increasing operational complexity, and surging electricity demand from artificial intelligence and electrification are straining the grid and heightening the risks of disruptions, making resilience a critical priority. Energy storage is increasingly deployed to provide critical power supply, fast grid support, and rapid restoration. However, current practice lacks consistent metrics and systematic methodologies to rigorously quantify the resilience benefits of storage. This paper provides a comprehensive review of energy storage in resilience enhancement, focusing on functional roles, quantification metrics, and integration strategies. A structured resilience metrics library is compiled and categorized to encompass both technical and economic performance aspects. Existing methodologies for resilience-oriented storage planning and operations are critically examined. Key technical and practical challenges are identified, and future research directions are outlined to strengthen storage contributions to grid resilience.

Benefit quantification↗
DOE OSTI2023

Natural attenuation of uranium in a fluvial Wetland: Importance of hydrology and speciation

A nuclear fuel fabrication facility released 43,500 kg of uranium into a riparian wetland located on the Savannah River Site between 1955 and 1988. Studies were undertaken to evaluate hydrological and geochemical processes influencing uranium accumulation in the wetland. Gamma-radiation-mapping surveys were conducted by systematically walking over the contaminated wetland with backpacks equipped with global positioning systems and NaI gamma detectors. Based on maps compiled from >700,000 gamma spectra and eight sediment uranium depth profiles, it was determined that 94% of the released uranium remained in the wetland. The uranium in the wetland is concentrated in five multi-hectare areas along the stream, accounting for ~11% of the land area adjacent to the stream. While land type (upland or wetland) and topography provided a reasonable first approximation of where much of the uranium was deposited, hydrological watershed modeling revealed that the stream velocity was especially slow through many of the hot spots. Here, using autoradiography combined with SEM/EDX measurements of contaminated sediments, surprisingly few hot particles were detected. Instead, uranium was evenly distributed throughout the sampled sediment, suggesting that dissolved uranium had bound to sediment particles that became suspended and later deposited in low energy (low flow velocity) portions of the stream. EXAFS suggested that U atoms were present as individual ions in disordered complexes within the sediment. Furthermore, linear combination analyses suggested that the predominant component of the U(VI) was adsorbed to sediment minerals (~70%) and a minor component (~30%) was associated with organic matter phases. Furthermore, these studies show that wetlands can be extraordinarily effective at binding and retaining uranium, thereby providing a natural barrier to the transport of uranium out of a watershed. However, significant anthropogenic or climatic changes to wetlands, such as those associated with flooding, forest fires, or land use, may disrupt the complex hydrological and biogeochemical balance necessary to maintain long-term immobilization of uranium.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Universal correlation for falling film evaporation heat transfer coefficients of water and seawater

Horizontal falling film evaporators are widely utilized in desalination industries to increase fresh water supply. However, universal correlations for seawater falling film evaporation under varied operational and geometrical conditions are simply unavailable in open literature. Thus, this study aims to develop such a universal correlation for both plain and enhanced tubes. The detailed heat transfer mechanisms are reviewed, and rational parameters are incorporated to develop the universal correlation. A dataset of 994 data points from 9 sources covering a wide range of conditions was compiled. These conditions include Reynolds numbers from 10 to 7235, heat fluxes from 7.7 to 208 kW/m -2 , saturation temperatures from 278 to 401 K, salinities from 0 to 60 gsalt kg -1 water, tube diameters from 15.8 to 50.8 mm, and liquid feeder height to diameter ratios from 1 to 2.25. Upon analysis, it was found that most of the recommended existing correlations exhibited poor predictive accuracy, as evidenced by larger MADs. The developed correlation in this study demonstrated the best predictive accuracy for the entire dataset, yielding a MAD of 16.8 % and an R 2 of 0.82. Furthermore, the performance of the new correlation was individually assessed across a broader spectrum of operational and design conditions, reflecting the individual conditions’ influences with an overall MAD of 20 %.

42 ENGINEERING↗
DOE OSTI2021

Biomass supply chain equipment for renewable fuels production: A review

The production of renewable fuels is a critical component of global strategies to reduce greenhouse gas (GHG) emissions. Moreover, the collection of raw materials for its production can provide added benefits such as reduction of wildfire risk, additional income for farmers, and decreased disposal costs. Although there is substantial literature on design and modeling of supply chains, the authors were unable to find a single reference with the information needed for the selection and cost estimation of each type of equipment involved in the supply chain. Therefore, the goal of this research is to gather information necessary for the construction and utilization of models that might drive the identification of a feasible supply chain to produce renewable fuels at a commercial scale. The primary objectives are to 1) understand the supply chain of critical feedstocks for renewable fuels production; 2) identify the equipment commercially available for collection and adequation of feedstock; and 3) consolidate information regarding equipment cost, energy consumption, and efficiency, as well as feedstock storage and transportation systems. This paper provides a compilation for five feedstock types studied for sustainable aviation fuel production: 1) agricultural residues and grasses, 2) forest residues, 3) urban wood waste, 4) oilseeds, 5) fats, oils & greases. All the technologies involved from the field to the gate of the preprocessing or conversion unit were reviewed. The information on fats, oils & greases supply chains and equipment purposely designed for forest thinning and pruning was very limited.

: Feedstock, Collection and Adequation, Renewable ↗
DOE OSTI2021

Italian prototype building models for urban scale building performance simulation

Urban building energy modeling (UBEM) seeks to evaluate strategies to optimize building energy use at urban scale to support a city's building energy goals. Prototype building models are usually developed to represent typical urban building characteristics of a specific use type, construction year, and climate zone, as detailed characteristics of individual buildings at urban scale are difficult to obtain. This study investigated the Italian building stock, developing 46 building prototypes, based on construction year, for residential and office buildings. The study included 16 single-family buildings, 16 multi-family buildings, and 14 office buildings. Building envelope properties and heating, ventilation, and air conditioning system characteristics were defined according to existing building energy codes and standards for climatic zone E, which covers about half the Italian municipalities. Novel contributions of this study include (1) detailed specifications of prototype building energy models for Italian residential and office buildings that can be adopted by UBEM tools, and (2) a dataset in GeoJSON format of Italian urban buildings compiled from diverse data sources and national standards. Finally, the developed prototype building specifications, the building dataset, and the workflow can be applied to create other building prototypes and to support Italian national building energy efficiency and environmental goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

Analytical models of hydrogen transport in graphite

The importance of graphite-hydrogen chemical reactions to fusion, fission, and hydrogen storage applications, combined with the rapidly evolving knowledge on the underlying mechanisms, has led to the development of multiple models to describe hydrogen transport in graphite. Significant differences exist among these models, resulting from discrepancies in the modeling assumptions, intended degree of fidelity, and conditions of applicability. This paper attempts at reconciling these apparent differences by providing a comprehensive description of the constitutive equations governing hydrogen transport in graphite at high-temperature, identifying outstanding gaps in knowledge, illustrating how these different models approach them, and proposing alternative analytical formulations grounded on experimental results from hydrogen-graphite studies. Governing equations, closing relations, and simplifying assumptions are discussed for hydrogen transport at the inter-granular and intra-granular level, accompanied by compiled experimental data and illustrated energy diagrams associated to the proposed transport mechanisms. Analytical formulations are provided to reproduce competing hypotheses on the mechanisms, supporting the development of a range of computational models that can enable resolution of outstanding knowledge gaps through comparative testing against experimental data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗