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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Metals and Quantum Materials with Spin-orbit Interactions by Quantum Monte Carlo methods

The key goals of this project were as follows: 1) Analysis and benchmarks of electron correlation effects recovered in the fixed-node approximation that is inherent to quantum Monte Carlo (QMC) method as applied to metallic states; 2) development of new algorithms for electron spin-degrees of freedom to be treated as explicit quantum variables; 3) designing electronic structure QMC algorithm for efficient evaluation of spin-orbit effects in systems with heavy atoms; 4) adapting the algorithm to complex wave functions and developing corresponding fixed-phase approximation; 5) design and testing of algorithm for valence-only non-local spin-orbit operators; 6) analysis of fixed-node vs fixed-phase errors and their comparisons. The key accomplishments: i) We carried out a systematic study of Li systems by the fixed-node diffusion Monte Carlo method. This involved Li atom, molecule, cluster and solid calculated by the full range of QMC methods including fixed-node QMC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

APPLICATION OF OBJECTIVES-DRIVEN ASSURANCE CASES TO SYSTEM DEVELOPMENT IN AN EVOLVING ACQUISITION MODEL

System properties such as “safety” and “dependability” cannot, in practice, be proven, and must be argued in an “assurance case” aimed at supporting risk-acceptance decisions that have to be made by system acquirers and/or regulatory authorities. The paper is concerned with applications of the “assurance case” idea early in design and development of new systems, when (apart from dedicated testing) the only available operating experience information derives from previous (non-identical) systems. Much of the discussion is based on an evolving acquisition model at the US National Aeronautics and Space Administration; previously, most major systems were developed in-house, but some major systems will now be developed by and acquired from commercial providers. Key points discussed include the following. (1) By promoting a particular kind of focused discussion between acquirers and providers, the use of assurance cases should be particularly valuable under the new acquisition model. (2) In principle, objectives-driven (sometimes called “performance-based”) approaches to assurance of performance have significant advantages in cases where they are applicable. (3) For truly novel systems, completeness of the safety analysis is a significant issue; it is important for the assurance case to include a commitment by the provider (or applicant) to seriously pursue analysis of operating experience, so that previously unrecognized hazards can be identified and addressed. (4) Inquiries into major accidents often point to deficiencies in management oversight in all parts of the life cycle; management processes need to be addressed in the formulation and the implementation of an assurance case. Under the new acquisition model, these considerations imply a serious reconsideration of the way in which the development process is managed by both providers and acquirers.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Application of Objectives-Driven Assurance Cases to System Development in an Evolving Acquisition Model

System properties such as “safety” and “dependability” cannot, in practice, be proven, and must be argued in an “assurance case” aimed at supporting risk-acceptance decisions that have to be made by system acquirers and/or regulatory authorities. The paper is concerned with applications of the “assurance case” idea early in design and development of new systems, when (apart from dedicated testing) the only available operating experience information derives from previous (non-identical) systems. Much of the discussion is based on an evolving acquisition model at the US National Aeronautics and Space Administration; previously, most major systems were developed in-house, but some major systems will now be developed by and acquired from commercial providers. Key points discussed include the following. (1) By promoting a particular kind of focused discussion between acquirers and providers, the use of assurance cases should be particularly valuable under the new acquisition model. (2) In principle, objectives-driven (sometimes called “performance-based”) approaches to assurance of performance have significant advantages in cases where they are applicable. (3) For truly novel systems, completeness of the safety analysis is a significant issue; it is important for the assurance case to include a commitment by the provider (or applicant) to seriously pursue analysis of operating experience, so that previously unrecognized hazards can be identified and addressed. (4) Inquiries into major accidents often point to deficiencies in management oversight in all parts of the life cycle; management processes need to be addressed in the formulation and the implementation of an assurance case. Under the new acquisition model, these considerations imply a serious reconsideration of the way in which the development process is managed by both providers and acquirers.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

LAMP Emittance Budget, Rev. 1

This report summarizes the performance limits of the LANSCE Coupled-Cavity Linac (CCL). These results are captured or summarized directly from the references cited. This report was written in support of the LANSCE Modernization Project (LAMP). This brief report summarizes the emittance budget for the LANSCE Modernization Project (LAMP). While the project Key Performance Parameters (KPPs) specify threshold and objective requirements for charge delivered to each experimental area, no upper limits on beam emittances are specified. To maintain low losses in the high-energy section of the LANSCE linac and hands-on maintenance, some upper limits on beam emittance need to be specified for the new LAMP front-end performance. The scope of the LAMP project replaces the injector section and drift-tube linac (DTL) up to 100 MeV of the existing LANSCE linac. This new design replacement will be integrated with the remaining coupled cavity linac (CCL) which makes up most of the accelerator at LANSCE and accelerates the beam to a final energy of 800 MeV. The initial approach that has been used to define an emittance budget for the new LAMP front end is based on recent and historical measured beam emittances at 100 MeV for the three beam types accelerated at LANSCE: H+ (protons for isotope production), LBEG (H- beam for delivery to proton radiography and to the Lujan neutron spallation target, and MPEG (H- beam for delivery to the Weapons Neutron Research facility). The emittance budget (upper limit) for each beam type has been selected to maintain the losses in the CCL to a level approximately equivalent to those observed in present operations to first order. However, the goal of the LAMP project is to improve the quality of the beams injected into the CCL, if possible, thus allowing for higher average current operation while also lowering beam losses and activation at high beam energies. The table below summarizes the beam measurements evaluated and used to establish a conservative emittance budget for LAMP based on known historical beam losses and activation. However, based on estimates of the CCL admittance and the Isotope Production Facility (IPF) beamline acceptance, a more relaxed transverse emittance upper limit of 0.095 π-cm-mrad, rms, normalized may be acceptable at 100 MeV while still meeting the LAMP performance requirements for charge delivery to each LANSCE experimental area and maintaining hands-on maintenance. This upper limit is supported by a recent analysis of operational data. Additionally, the present conceptual LAMP front-end design meets this requirement.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Operating Stresses and Their Effects on Degradation of LSM-Based SOFC Cathodes

The performance of solid oxides fuel cells (SOFCs) with four different Mn excess of lanthanum strontium manganite (LSM) -based cathodes were examined under different temperatures (1,000 °C, 900 °C), current densities (0, 380, and 760 mA cm -2 ), and cathode atmospheres (p O 2 )=0.1,0.15,0.21) for durations ranging from 58 to 1,008 h. Each yttria-stabilized zirconia (YSZ) electrolyte-supported “button” cell had a porous Ni/YSZ composite anode and a porous LSM/YSZ composite cathode. The cells’ output voltage versus time were recorded and electrochemical impedance spectroscopy (EIS) and linear sweep voltammetry (LSV) measurements were performed every 24 hours. The total area specific resistance (ASR) was calculated from these measurements. The values of ASR from both EIS and LSV were comparable between each other but lower than that from durability test. Distribution of relaxation times (DRT) analysis was performed to investigate the electrochemical processes and their corresponding relaxation frequencies as well as their attributions to the total ASR. The series resistance and parallel resistance that obtained from the equivalent circuit fit of the Nyquist plot were higher at low temperature and low p O 2 regardless of LSM compositions. The area of the peaks derived from DRT analysis increased with time during individual tests. The microstructures of the tested cells were examined using scanning electron microscopy and energy-dispersive x-ray spectroscopy (SEM/EDS). Manganese oxide particles were observed near the cathode-electrolyte interface after prolonged (1,008 h) testing in air of a cell with LSM of 11% manganese excess, and after a short test (58 h) under low oxygen (p O 2 = 0.10) in a cell with LSM of 5% manganese excess. However, the role of MnOx in cell degradation is still unknown.

08 HYDROGEN↗
DOE OSTI2020

Free-Surface Liquid Lithium Flow Modeling and Stability Analysis for Fusion Applications

Liquid metal plasma facing components are considered an attractive design choice for fusion devices including pilot plants. Virtual prototyping of such devices includes modeling of free-surface flow of the electrically conductive liquid, which requires computational fluid dynamics (CFD) and magnetohydrodynamics (MHD) simulations. Numerical tools capable of simulating flows and heat transfer in the free-surface MHD flow were developed at PPPL based on the customized ANSYS CFX. Here, MHD is introduced using a magnetic vector potential approach. Free-surface flow capabilities are available in the code and were tested. Special stabilization procedures were derived and applied to improve convergence of the momentum equations with the source terms due to the Lorentz force and surface tension. Important characteristics of the fusion-relevant liquid metal flow is free surface smoothness and stability. Heat flux from the plasma impacts the liquid surface at a very acute angle, so any change of the free surface from axisymmetry can dramatically increase the local heat flux density and thus create excessive evaporation of liquid lithium into the plasma, which is detrimental to operations. Stability analysis of the liquid metal film flow was performed to determine applicable flow regimes. Thin film flow along horizontal wall is considered. Effects of gravity, magnetic field, and surface tension are included in the analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Hadamard products and BPS networks

We study examples of fourth-order Picard-Fuchs operators that are Hadamard products of two second-order Picard-Fuchs operators. Each second-order Picard-Fuchs operator is associated with a family of elliptic curves, and the Hadamard product computes period integrals on the fibred product of the two elliptic surfaces. We construct 3-cycles on this geometry as the union of 2-cycles in the fibre over contours on the base. We then use the special Lagrangian condition to constrain the contours on the base. This leads to a construction that is reminiscent of spectral networks and exponential networks that have previously appeared in string theory literature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Capabilities Development at the University of Texas at El Paso for Hydrogen Generation Research and Education

Gasification-based systems have recently received much attention due to their capability of converting wastes into useful fuels. The gasification of biomass, municipal solid waste (MSW), plastics, and other sustainable resources has shown promise in hydrogen production. When coupled to a CCU or CCS unit, these systems have the potential to achieve carbon neutrality or carbon-negative emissions. In addition, these systems have an edge over conventional incineration or landfill systems by reducing greenhouse gas emissions and recovering useful energy. However, the gasification of MSW and other wastes is still in its early stages. In particular, co-gasification of wastes with biomass has significant unknowns in optimizing the reaction kinetics, operability, design and performance improvements. Currently, Supercritical Water Gasifiers (SCWG) and Plasma Gasifiers are the major systems that are capable of producing high hydrogen amounts from Biomass and MSW, respectively. However, both systems have high capital and operating costs, adversely affecting efficiency and the hydrogen production cost. Additionally, due to lower temperatures, SCWGs are prone to tar formation and fouling in the heat exchangers. Hence, there is a need to look for alternative solutions for MSW and biomass gasifications, particularly in co-gasification. The current effort aims to develop a strategic plan to establish a sustainable gasification facility for hydrogen research at the University of Texas at El (UTEP). A major part of this effort involves an extensive literature survey to identify technological gaps and potential areas of interest. Several concepts were developed in accordance with the current demands from the literature survey. Based on the concepts, a center-wide capability assessment was conducted to measure the current capacity and feasibility of establishing hydrogen research. Afterward, a strategic research plan was developed, and a list of required resources was made for the expansion of hydrogen research at UTEP. In addition, successful partnerships with the local county and the city were developed to pursue hydrogen research. The strategic goal setting and planning of UTEP Aerospace Center resulted in securing $2.5 million in external support to expand the hydrogen research during the project performance period. In addition, during the project period, a course in Hydrogen Energy Systems was developed to expand the energy curriculum at the UTEP Aerospace and Mechanical Engineering Department. The course focused on hydrogen production, storage, supply and delivery and application. The cross-listed course was offered at both undergraduate and graduate levels during the Spring 2024 semester and had 27 enrolled students. Moreover, the students supported under this award were trained in gasification process modeling, CAD, CFD and FEA during the project period. The training enabled the students to move into new projects to support gasification design, integrated gasification combined cycle process plant analysis, gasifier structural and operational analysis, and digitally threading the systems.

08 HYDROGEN↗
DOE OSTI2025

Exploring the Future Energy Value of Long-Duration Energy Storage

Long-duration energy storage is commonly viewed as a key technology for providing flexibility to the grid and broader energy systems over a multidecadal time frame. However, prior work has typically used present-day grid infrastructures to characterize the relationship between the duration and arbitrage value of storage in electricity markets. This study leverages established National Renewable Energy Laboratory grid planning and operations tools, analysis, and data to execute a price-taker model of an energy storage system for several 8760 h price series representative of current and future contiguous United States grid infrastructures with varying shares of variable renewable energy (VRE). We find that the total value of energy storage typically increases with VRE shares, but any increase in the relative value of longer storage durations over time depends on the region and grid mix. Some regions see incremental value increasing notably, up to 20–40 h in 2050, while others do not. The negative effect of lower roundtrip efficiency on value is also found to be scenario-dependent, with the energy value in higher VRE scenarios being less sensitive to roundtrip efficiency and more supportive of longer storage durations. Long-duration storage value and deployment potential are a function of evolving electricity sector infrastructure, markets, and policy, making it critical to consistently revisit potential long-duration storage contributions to the grid.

14 SOLAR ENERGY↗
DOE OSTI2024

A finite difference informed random walker (FDiRW) solver for strongly inhomogeneous diffusion problems

In nature, many complex multi-physics coupling problems exhibit strong diffusivity inhomogeneity. For instance, in the context of radionuclide absorption by porous wasteform materials within a flowing waste stream, the difference of species’ diffusivity in solid and liquid phases spans by 3~8 orders of magnitude. To solve the diffusion equations with strongly inhomogeneous diffusivity, traditional discretization-based methods, such as the Finite Difference Method (FDM), require infinitesimally small time steps (<10 -10 ) as high spatial resolutions are employed in most microstructure evolution processes, leading to prohibitively high computational costs. Here, this work developed an integrated numerical approach (FDiRW: Finite Difference informed Random Walk) to tackle this challenge. The idea is that utilizing the Random Walk concept, the fast diffusion is modeled as a superposition of point source’s solution for a concentration distribution while FDM is used to obtain the point source’s solution at each node. A mesh-coarsening algorithm is developed to generate an exclusive coarse mesh for FDiRW approach to maximize its efficiency. The effectiveness of the coarse mesh-based FDiRW approach is validated by benchmarking Finite Difference solutions. Numerical results demonstrated that FDiRW achieves a remarkable 1000x computational efficiency improvement over FDM while preserving desired accuracy for a medium-sized model of 192 × 192 × 192 grids. Finally, as models scale up, a floating-point operations (PLOPs) analysis of the FDiRW algorithm reveals that its computational complexity grows quadratically in terms of the number of nodes employed in computation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

In-service corrosion and grain boundary oxidation in neutron-irradiated 316 stainless steel baffle-former bolts

Reactor core internal components such as baffle-former bolts (BFBs) are subjected to significant mechanical stress, corrosive environment, and neutron irradiation from the reactor core during the plant operation. Over the long operation period, these conditions lead to potential degradation and of the bolts. In this work, characterization was performed on the oxidized surface of stainless steel BFBs harvested from a commercial pressurized water reactor (PWR) after 40 years of operation. The analysis shows that a complex multilayered surface oxide with six identified layers formed that is different from 2-layer structure commonly observed in model experiments. The oxide varies by composition – predominantly Fe, Cr, and Ni, grain size, and phase, and has features resembling both unirradiated and radiation/ corrosion experiments likely due to the low radiation flux compared to ion-irradiation or the test reactor radiation. In addition, grain boundary oxidative attack featured a pathway for Fe and other elements to move from the metal matrix to the outermost oxide. In conclusion, the results help assess PWR lifetime extension, put into context previous experimental studies, and provide input for designing experiments combining radiation and corrosion effects.

Baffle-former bolt↗
DOE OSTI2023

Mechanistic Insights into Aldehyde Production from Electrochemical CO 2 Reduction on CuAg Alloy via Operando X-ray Measurements

CO 2 electrolysis converts the greenhouse gas CO 2 into valuable fuels and chemicals, such as carbon monoxide, ethylene, ethanol, etc. Currently, Cu is the only known monometallic catalyst capable of producing multicarbon products from electrochemical CO 2 reduction reaction (eCO2RR), while the poor selectivity limits its further use. It has been found that introducing Ag atoms into the Cu lattice can modulate product preference. However, the synergistic effects between Cu and Ag, and thus, the catalytic performance, are strongly influenced by catalyst morphology, electrolyzer configuration, reaction conditions, etc. Operando measurements can provide explicit information on the catalyst dynamic variation during the reaction, but their operation and analysis are challenging. Herein, we prepared CuAg multiphase alloy catalysts by magnetron sputtering, which allowed for investigating the intrinsic interaction between Cu and Ag. eCO2RR performance exhibited an improved selectivity toward carbonyls at the expense of hydrogen and hydrocarbons. The partially alloyed Cu and Ag phases were confirmed by operando X-ray diffraction. By means of combining operando X-ray measurements and density functional theory (DFT) calculations, the preferred carbonyl production is attributed to the reduced electron density and compressive strain of Cu due to Ag incorporation, which leads to a deeper d-band center and therefore weakened intermediate adsorption and oxophilicity. In conclusion, this work provides evidence of the intrinsic structural and electronic interaction between Cu and Ag during eCO2RR. The obtained information will facilitate the design of bi/multi-phase metallic or alloy electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Technology and times scales in Photonic Doppler Velocimetry (PDV)

Photonic Doppler Velocimetry (PDV) is a fiber-based measurement amenable to a wide range of experimental conditions. Interference between two optical signals—one Doppler shifted and the other not—is the essential principle in these measurements. A confluence of commercial technologies, largely driven by the telecommunication industry, makes PDV particularly convenient at near-infrared wavelengths. This discussion considers how measurement time scales of interest relate to the design, operation, and analysis of a PDV measurement, starting from the steady state through nanosecond resolution. Benefits and outstanding challenges of PDV are summarized, with comparisons to related diagnostics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Toward the determination of 𝐶⁢𝑃-odd pion-nucleon couplings

The nucleon matrix elements (NMEs) associated with quark chromomagnetic dipole moments (cMDMs) play a crucial role in determining the 𝐶𝑃-odd pion-nucleon couplings induced by quark chromoelectric dipole moments. In recent years, it has been argued that the NMEs of cMDMs can be related to the third moment of the nucleon's higher-twist (specifically, twist-3) parton distribution function (PDF) 𝑒⁡(𝑥), which can, in principle, be measured through dihadron production in semi-inclusive deep inelastic scattering processes. By applying the spin-flavor expansion to the cMDM operators in the large-𝑁 𝑐 limit, where 𝑁 𝑐 is the number of quark colors, we show that the NMEs receive contributions not only from the twist-3 PDF 𝑒⁡(𝑥) but also from an additional, previously neglected nucleon form factor. Incorporating constraints from the spin-flavor expansion, recent experimental data on 𝑒⁡(𝑥), as well as model calculations of 𝑒⁡(𝑥), we estimate the NMEs of the cMDM operators. Our analysis indicates that the NMEs are dominated by the nucleon form factors, and the cMDM contributions to pion-nucleon couplings can be comparable to those from the quark sigma terms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Adaptive Extremum Seeking Control Based LCL Filter Resonant Frequency Online Estimation

The LCL filter has been widely used in the grid-tied inverter systems. However, the resonance of the LCL filter can reduce the system stability margin and the control performance. Moreover, the grid impedance variations can lead to the drift of the resonant frequency, which can further worsen the system robustness. Thus, it is important to know the actual resonant frequency of the LCL filter. In this letter, an adaptive extremum seeking control (AESC) based estimation scheme is proposed to estimate the resonant frequency of the LCL filter online. Further by injecting a high-frequency (HF) signal into the inverter output voltage, the AESC scheme can identify the extremum of the LCL filter amplitude response, i.e., resonant peak. The amplitude of injection signal is adaptive based on the inverter HF response, which can address the tradeoff between the dynamic response and inverter output current quality. Most importantly, compare to other method, the proposed scheme has very low computational complexity, which minimizes the burden to the normal inverter controller operation. Stability analysis is given in this letter, and experimental studies are conducted to validate the effectiveness of the proposed scheme.

42 ENGINEERING↗
DOE OSTI2020

Collagen Turnover in Relation to Risk Factors and Hemodynamics in Human Intracranial Aneurysms

Determinants for molecular and structural instability, that is, impending growth or rupture, of intracranial aneurysms (IAs) remain uncertain. To elucidate this, we endeavored to estimate the actual turnover rates of the main molecular constituent in human IA (collagen) on the basis of radiocarbon ( 14 C) birth dating in relation to IA hemodynamics. Collagen turnover rates in excised human IA samples were calculated using mathematical modeling of 14 C birth dating data of collagen in relation to risk factors and histological markers for collagen maturity/turnover in selected IA. Hemodynamics were simulated using image-based computational fluid dynamics. Correlation, logistic regression, and receiver operating characteristic analyses were performed. Collagen turnover rates were estimated in 46 IA (43 patients); computational fluid dynamics could be performed in 20 IA (20 patients). The mean collagen turnover rate (γ) constituted 126% (±1% error) per year. For patients with arterial hypertension, γ was greater than 2600% annually, whereas γ was distinctly lower with 32% (±1% error) per year for patients without risk factors, such as smoking and hypertension. There was a distinct association between histological presence of rather immature collagen in human IA and the presence of modifiable risk factors. Spatial-temporal averaged wall shear stress predicted rapid collagen turnover (odds ratio, 1.6 [95% CI, 1.0–2.7]). Receiver operating characteristic analysis demonstrated a good test accuracy (area under the curve, 0.798 [95% CI, 0.598–0.998]) for average wall shear stress with a threshold ≥4.9 Pa for rapid collagen turnover. Our data indicate that turnover rates and stability of collagen in human IA are strongly associated with the presence of modifiable risk factors and aneurysmal hemodynamics. Finally, these findings underline the importance of strict risk factor modification in patients with unruptured IA. Future should include more detailed risk factor data to establish a more causal understanding of hemodynamics and the rupture risk of individual IA.

60 APPLIED LIFE SCIENCES↗