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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Coherence-Induced Deep Thermalization Transition in Random Permutation Quantum Dynamics

We report a phase transition in the projected ensemble—the collection of postmeasurement wave functions of a local subsystem obtained by measuring its complement. The transition emerges in systems undergoing random permutation dynamics, a type of quantum time evolution wherein computational basis states are shuffled without creating superpositions. It separates a phase exhibiting deep thermalization, where the projected ensemble is distributed over Hilbert space in a maximally entropic fashion (Haar random), from a phase where it is minimally entropic (“classical bit-string ensemble”). Crucially, this deep thermalization transition is invisible to the subsystem’s density matrix, which always exhibits thermalization to infinite temperature across the phase diagram. Through a combination of analytical arguments and numerical simulations, we show that the transition is tuned by the total amount of injected by the input state and the measurement basis, and is exhibited robustly across different microscopic models. Our findings represent a novel form of ergodicity-breaking universality in quantum many-body dynamics, characterized not by a failure of regular thermalization, but rather by a failure of deep thermalization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2001

Feasibility of Surfactant-Free Supported Emulsion Liquid Membrane Extraction

Supported emulsion liquid membrane (SELM) is an effective means to conduct liquid-liquid extraction. SELM extraction is particularly attractive for separation tasks in the microgravity environment where density difference between the solvent and the internal phase of the emulsion is inconsequential and a stable dispersion can be maintained without surfactant. In this research, dispersed two-phase flow in SELM extraction is modeled using the Lagrangian method. The results show that SELM extraction process in the microgravity environment can be simulated on earth by matching the density of the solvent and the stripping phase. Feasibility of surfactant-free SELM (SFSELM) extraction is assessed by studying the coalescence behavior of the internal phase in the absence of the surfactant. Although the contacting area between the solvent and the internal phase in SFSELM extraction is significantly less than the area provided by regular emulsion due to drop coalescence, it is comparable to the area provided by a typical hollow-fiber membrane. Thus, the stripping process is highly unlikely to become the rate-limiting step in SFSELM extraction. SFSELM remains an effective way to achieve simultaneous extraction and stripping and is able to eliminate the equilibrium limitation in the typical solvent extraction processes. The SFSELM design is similar to the supported liquid membrane design in some aspects.

Hu, Shih-Yao B.↗
NASA NTRS2003

Orbit Design for Phase I and II of the Magnetospheric Multiscale Mission (MMS)

The Magnetospheric Multiscale Mission (MMS) is a NASA mission intended to make fundamental advancements in our understanding of the Earth's Magnetosphere. There are three processes that MMS is intended to study including magnetic recon- nection, charged particle acceleration, and turbulence. There are four phases of the MMS mission and each phase is designed to study a particular region of the Earth's magnetosphere. The mission is composed of a formation of four spacecraft that are nominally in a regular tetrahedron formation. In this work, we present optimal orbit designs for Phase I and II. This entails designing optimal reference orbits so that the spacecraft dwell-time in the region of interest is a maximum. This is non-trivial because the Earth's magnetosphere is dynamic and its shape and position are not constant in inertial space. Optimal orbit design for MMS also entails designing the formation so that the relative motion of the four spacecraft yields the greatest science return. We develop performance metrics that are related to the science return, and use Sequential Quadratic Programming (SQP) to determine optimal relative motion solutions. We also ensure that practical constraints such as maximum eclipse time and minimum inter-spacecraft separation distances are not violated.

Hughes, Steve P.↗
NASA NTRS1992

Extracellular vesicles of calcifying turkey leg tendon characterized by immunocytochemistry and high voltage electron microscopic tomography and 3-D graphic image reconstruction

To gain insight into the structure and possible function of extracellular vesicles in certain calcifying vertebrate tissues, normally mineralizing leg tendons from the domestic turkey, Meleagris gallopavo, have been studied in two separate investigations, one concerning the electron microscopic immunolocalization of the 66 kDa phosphoprotein, osteopontin, and the other detailing the organization and distribution of mineral crystals associated with the vesicles as determined by high voltage microscopic tomography and 3-D graphic image reconstruction. Immunolabeling shows that osteopontin is related to extracellular vesicles of the tendon in the sense that its initial presence appears coincident with the development of mineral associated with the vesicle loci. By high voltage electron microscopy and 3-D imaging techniques, mineral crystals are found to consist of small irregularly shaped particles somewhat randomly oriented throughout individual vesicles sites. Their appearance is different from that found for the mineral observed within calcifying tendon collagen, and their 3-D disposition is not regularly ordered. Possible spatial and temporal relationships of vesicles, osteopontin, mineral, and collagen are being examined further by these approaches.

NASA Discipline Musculoskeletal↗
DOE OSTI2021

Far-ultraviolet Variable Sources in M31

The Ultraviolet Imaging Telescope (UVIT) on board the AstroSat observatory has imaged the Andromeda galaxy (M31) from 2017 to 2019 in the far- and near-UV (FUV and NUV) with the high spatial resolution of ≃1″. The survey covered the large sky area of M31 with a set of observations (Fields), each 28′ in diameter. Field 1 was observed in two epochs with the F148W filter, separated by ≃1133 days (≃3.10 yr). The 6.4 kpc diameter Field 1 (at the distance of M31) includes a substantial part of the inner spiral arms of the galaxy. We identify UVIT sources in both epochs of Field 1 and obtain catalogs of sources that are variable in FUV at >3σ and >5σ confidence level. The fraction of FUV-variable sources is higher for brighter sources, and the fraction is higher in the two main spiral arms compared to other areas. This is evidence that a significant fraction of the FUV variables are associated with hot young stars. Source counterparts are found for 42 of the 86 >5σ FUV variables using existing catalogs. The counterparts include 10 star clusters, 6 H II regions, 5 regular or semiregular variables, 6 other variables, and 6 nova or nova candidates. The UVIT FUV–NUV and FUV–FUV color–magnitude diagrams confirm the association of most of the FUV variables with hot young stars. A catalog of UVIT photometry for the variable sources is presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Third-Order Møller–Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals

The practical utility of Møller–Plesset (MP) perturbation theory is severely constrained by the use of Hartree–Fock (HF) orbitals. It has recently been shown that the use of regularized orbital-optimized MP2 orbitals and scaling of MP3 energy could lead to a significant reduction in MP3 error. In this work, we examine whether density functional theory (DFT)-optimized orbitals can be similarly employed to improve the performance of MP theory at both the MP2 and MP3 levels. We find that the use of DFT orbitals leads to significantly improved performance for prediction of thermochemistry, barrier heights, noncovalent interactions, and dipole moments relative to the standard HF-based MP theory. Indeed, MP3 (with or without scaling) with DFT orbitals is found to surpass the accuracy of coupled-cluster singles and doubles (CCSD) for several data sets. We also found that the results are not particularly functional sensitive in most cases (although range-separated hybrid functionals with low delocalization error perform the best). As such, MP3 based on DFT orbitals thus appears to be an efficient, noniterative O(N 6 ) scaling wave-function approach for single-reference electronic structure computations. Scaled MP2 with DFT orbitals is also found to be quite accurate in many cases, although modern double hybrid functionals are likely to be considerably more accurate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

JPL-TMF multiwavelength aerosol lidar

The JPL-TMF Lidar Facility began operation in 1985 with the completion of a XeCl excimer based stratospheric ozone DIAL system. As an adjunct to this system a Nd:YAG based tropospheric ozone and aerosol system was assembled. The tropospheric ozone system was designed to utilize the fourth harmonic (266 nm) of the Nd:YAG to produce 289 nm, 294 nm or 299 nm by SRS in the isotopic hydrogen gases. The aerosol lidar was developed using the fundamental (1064 nm) and second harmonic of the Nd:YAG (532 nm). Following the eruption of Mount Pinatubo most of the effort was put into obtaining data on the layer structure of the volcanic aerosol as a function of altitude and time on a regular basis. During this period the tropospheric ozone DIAL was not employed on a regular schedule. The stratospheric measurements were of primary interest; however with the volcanic aerosol concentrated at the 16 - 26 km altitude the ozone concentration profile was perturbed. The aerosol interference in the ozone measurements caused the lidar community to seek techniques of measurement of the aerosol which could be used in making realistic corrections to the ozone measurements. It is generally accepted that a reasonable technique of measurement would include at least one channel of Raman scattering from a blue wavelength and a minimum of three other supporting wavelengths. With the primary transmitters available at TMF, a four wavelength system was considered for configuration. The four wavelength aerosol lidar is based on the Nd:YAG fundamental, the second and third harmonics of the transmitter. The receiver will separate these three wavelengths as well as the Raman scattering from atmospheric nitrogen of the third harmonic.

Haner, David A.↗
NASA NTRS2004

Orbit Design for Phase I and II of the Magnetospheric Multiscale Mission

The Magnetospheric Multiscale Mission (MMS) is a NASA mission intended to make fundamental advancements in our understanding of the Earth s magnetosphere. There are three processes that MMS is intended to study including magnetic reconnection, charged particle acceleration, and turbulence. There are four phases of the MMS mission and each phase is designed to study a particular region of the Earth's magnetosphere. The mission is composed of a formation of four spacecraft that are nominally in a regular tetrahedron formation. In this work, we present optimal orbit designs for Phase I and II. This entails designing reference orbits such that the spacecraft dwell-time in the region of interest is a maximum. This is non-trivial because the Earth's magnetosphere is dynamic and its shape and position are not constant in inertial space. Optimal orbit design for MMS also entails designing the formation so that the relative motion of the four spacecraft yields the greatest science return. We develop performance metrics that are directly related to the science return, and use Sequential Quadratic Programming (SQP) to determine optimal relative motion solutions. While designing for optimal science return, we also consider practical constraints such as maximum eclipse time and minimum inter-spacecraft separation distances. Data are presented that illustrates how long we can ensure that the formation remains in the relevant region of the Earth's magnetosphere. We also draw general conclusions about where in the orbit acceptable tetrahedron configurations can be provided and for how long.

Hughes, Steve P.↗
DOE OSTI2024

Heterostructural Alloy Phase Diagram for (Cd 1-x Zn x ) 3 As 2

Alloying the topological semimetal Cd 3 As 2 with Zn 3 As 2 provides a potential route for controlling the electronic properties. We predict the alloy phase diagram from first-principles calculations, considering that both end members have a crystal structure derived from the antifluorite lattice, but with different arrangements of the unoccupied cation sites. To overcome the limitations of the regular solution approximation and to include short-range order effects, we perform Monte Carlo simulations, parameterize the temperature dependence of the mixing enthalpy ΔH m , and perform thermodynamic integration of the free energy. The resulting phase diagram exhibits features that are unique to heterostructural alloy systems and provides computational predictions of solubility limits and composition ranges that are stable against spinodal decomposition.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Waste Information Management System with 2019-20 Waste Streams - 20491

The Waste Information Management System (WIMS) 2019-20 was updated to support the Department of Energy (DOE) accelerated cleanup program. The schedule compression required close coordination and a comprehensive review and prioritization of the barriers that impeded treatment and disposition of the waste streams at each site. Many issues related to waste treatment and disposal were potential critical path issues under the accelerated schedule. In order to facilitate accelerated cleanup initiatives, waste managers at DOE field sites and at DOE Headquarters in Washington, D.C., needed timely waste forecast and transportation information regarding the volumes and types of radioactive waste that would be generated by DOE sites over the next 35 years. Each local DOE site historically collected, organized, and displayed waste forecast information in separate and unique systems. In order for interested parties to understand and view the complete DOE complex-wide picture, the radioactive waste and shipment information of each DOE site needed to be entered into a common application. The WIMS application was therefore created to serve as a common application to improve stakeholder comprehension and improve DOE radioactive waste treatment and disposal planning and scheduling. WIMS allows identification of total forecasted waste volumes, material classes, disposition sites, choke points, technological or regulatory barriers to treatment and disposal, along with forecasted waste transportation information by rail, truck and intermodal shipments. The Applied Research Center (ARC) at Florida International University (FIU) in Miami, Florida, developed and deployed the web-based forecast and transportation system and is responsible for updating the radioactive waste forecast and transportation data on a regular basis to ensure the long-term viability and value of this system. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Entanglement Cost for Infinite-Dimensional Physical Systems

We prove that the entanglement cost equals the regularized entanglement of formation for any infinite-dimensional quantum state ρ ΑΒ with finite quantum entropy on at least one of the subsystems A or B. This generalizes a foundational result in quantum information theory that was previously formulated only for operations and states on finite-dimensional systems. The extension to infinite-dimensional systems is nontrivial because the conventional tools for establishing both the direct and converse bounds, i.e., strong typicality, monotonicity, and asymptotic continuity, are no longer directly applicable. To address this problem, we construct a new entanglement dilution protocol for infinite-dimensional states implementable by local operations and a finite amount of one-way classical communication (one-way LOCC), using weak and strong typicality multiple times. We also prove the optimality of this protocol among all protocols, even under infinite-dimensional separable operations, by developing an argument based on alternative forms of monotonicity and asymptotic continuity of the entanglement of formation for infinite-dimensional states. Along the way, we derive a new integral representation for the quantum entropy of infinite-dimensional states, which we believe to be of independent interest. Our results allow us to fully characterize an important operational entanglement measure—the entanglement cost—for all infinite-dimensional physical systems.

Complexity↗
DOE OSTI2022

Exploring Si Heterojunction Solar Cell Degradation: Bulk and Interface Processes Analyzed by Simulations and Experiments in Order to Develop Mitigation Strategies

The Si technology with the highest conversion efficiency is a-Si/c-Si heterojunction (HJ) PV. Its market penetration, however, is slowed by reports that fielded HJ modules degraded at twice the rate of regular c-Si modules. Our very recent work confirmed this degradation and attributed it to enhanced recombination at the a-Si/c-Si interface, caused by the slow, order-of-magnitude increase of the defect density. We propose to comprehensively explore degradation mechanisms in Si HJ cells by combining simulations and experiments. Theoretically, we will: (1) simulate structure of a-Si and a-Si/c-Si interfaces, identify defects; (2) determine statistics of energy barriers that control defect formation; (3) compute growth of defect density from the barrier distribution, and the resulting degradation of Voc. Experimentally, we will: (1) create a series of HJ-cell-representative stacks with varying layer thicknesses and deposition conditions by using PECVD tools; (2) use temperature and injection-dependent lifetime spectroscopy to determine effective lifetimes; (3) deconvolve the data to separate bulk and interface effects, and the effects of charge density and interface defects to analyze long time degradation. The goal is to identify material and device degradation mechanisms, to develop mitigation strategies for improved stability, such as the introduction of capping layers and hydrogen diffusion control.

14 SOLAR ENERGY↗
NASA NTRS1991

Atmospheric water vapor transport: Estimation of continental precipitation recycling and parameterization of a simple climate model

The advective transport of atmospheric water vapor and its role in global hydrology and the water balance of continental regions are discussed and explored. The data set consists of ten years of global wind and humidity observations interpolated onto a regular grid by objective analysis. Atmospheric water vapor fluxes across the boundaries of selected continental regions are displayed graphically. The water vapor flux data are used to investigate the sources of continental precipitation. The total amount of water that precipitates on large continental regions is supplied by two mechanisms: (1) advection from surrounding areas external to the region; and (2) evaporation and transpiration from the land surface recycling of precipitation over the continental area. The degree to which regional precipitation is supplied by recycled moisture is a potentially significant climate feedback mechanism and land surface-atmosphere interaction, which may contribute to the persistence and intensification of droughts. A simplified model of the atmospheric moisture over continents and simultaneous estimates of regional precipitation are employed to estimate, for several large continental regions, the fraction of precipitation that is locally derived. In a separate, but related, study estimates of ocean to land water vapor transport are used to parameterize an existing simple climate model, containing both land and ocean surfaces, that is intended to mimic the dynamics of continental climates.

Brubaker, Kaye L.↗
DOE OSTI2023

On the convexity of phase-field fracture formulations: Analytical study and comparison of various degradation functions

Efficient and accurate fracture modeling is of great importance in applications where catastrophic outcomes under extreme scenarios are possible. The phase-field (PF) approach to fracture received significant attention over the past decade, due to its capability to capture complicated fracture patterns (e.g., crack merging and branching). Specifically, crack initiation and propagation are modeled via minimization of the total energy functional, which is regularized with the aid of a phase field. Despite the promising results and modeling capabilities of the PF method in many applications, the solution of fracture problems remains computationally challenging mainly due to the non-convexity of the total energy functional with respect to the combined unknown (phase field and displacement) fields. Understanding the effects of their coupling on convexity is crucial in order to address frequently encountered hurdles in fracture modeling (e.g., inefficient solvers and non-physical crack nucleation). In this paper, we develop convexity criteria for a wide class of PF fracture formulations. For this class of formulations, the second variation of the total energy functional is expressed in terms of Hessian matrices (evaluated at individual material points). Depending on the choice of geometric crack functions and degradation functions, we classify the formulations into three categories and analytically study each one separately. To study the sign of the second variation, we derive inequalities which are satisfied at material points when the Hessian matrix is locally positive semi-definite. These inequalities provide objective criteria for comparing degradation functions. Finally, the applicability of the proposed convexity criteria is demonstrated in the context of a one-dimensional problem, solved using a conventional monolithic solver.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Vehicle Technologies and Hydrogen and Fuel Cell Technologies Research and Development Programs Benefits Assessment Report for 2020

The U.S. Department of Energy’s Vehicle Technologies and Hydrogen and Fuel Cell Technologies Offices (VTO and HFTO) support research and development of efficient and sustainable transportation technologies that will improve energy efficiency, minimize emissions, and enable America to use less petroleum. VTO and HFTO regularly revisit and update relevant research and development goals and areas of emphasis in response to the latest technological advancements and in alignment with current national priorities. As such, analyses of expected benefits resulting from VTO and HFTO investments and anticipated goal achievements are updated periodically and will be again for 2021 in the context of the latest national-level transportation decarbonization goals. The analysis in the present report is based on technical progress goals established in VTO and HFTO in the years immediately prior to and including 2020, and it summarizes the estimated energy and emissions benefits corresponding to achievement of those goals. The goals span research activities on batteries, electric drive technologies (EDT), combustion, lightweight materials, fuel cells, and hydrogen storage. The evaluation includes detailed analyses into the benefits of technology improvements on the U.S. light-duty (LD) vehicle fleet and separately on the U.S. medium- and heavy-duty (MDHD) vehicle fleet. This report summarizes the outcomes from each of these analyses both independently and in combination.

08 HYDROGEN↗
DOE OSTI2020

The geometry of signal space: a case study of direct mapping between seismic signals and event distribution

SUMMARY Under favourable circumstances, seismic waveforms corresponding to an ensemble of events related by a common, spatially distributed process collectively exhibit a regular, signal-space geometry. When events in the ensemble have a common, or nearly common, source mechanism, this geometry is a distorted image of the distribution of events in the source region. The signal-space image can be visualized using a relatively simple waveform alignment and projection operation. Ensemble waveform correlation measurements can be inverted to estimate the distribution of the events in the source region, up to an arbitrary rotation, reflection and scaling, with residual distortion. We demonstrate these concepts with synthetic waveforms and with observations of long-wall mining induced seismicity for which substantial ground truth information is available. Our experience with these data has implications for location, correlation detection and machine learning and possible application to studies of repeating events in induced, volcanic and glacial seismicity. Our results place limits on the widely held assumption that waveform correlation is a useful measure of event separation. We suggest that the constraints on event separation need to be evaluated in the context of a population of related events, whose waveforms sample the signal space image of the source region. A better indicator of event separation is the length of the shortest path in signal space along the image.

58 GEOSCIENCES↗
DOE OSTI2021

PRISM3D: a 3-D reference seismic model for Iberia and adjacent areas

SUMMARY We present PRISM3D, a 3-D reference seismic model of P- and S-wave velocities for Iberia and adjacent areas. PRISM3D results from the combination of the most up-to-date earth models available for the region. It extends horizontally from 15°W to 5°E in longitude, 34°N to 46°N in latitude and vertically from 3.5 km above to 200 km below sea level, and is modelled on a regular grid with 10 and 0.5 km of grid node spacing in the horizontal and vertical directions, respectively. It was designed using models inferred from local and teleseismic body-wave tomography, earthquake and ambient noise surface wave tomography, receiver function analysis and active source experiments. It includes two interfaces, namely the topography/bathymetry and the Mohorovičić (Moho) discontinuity. The Moho was modelled from previously published receiver function analysis and deep seismic sounding results. To that end we used a probabilistic surface reconstruction algorithm that allowed to extract the mean of the Moho depth surface along with its associated standard deviation, which provides a depth uncertainty estimate. The Moho depth model is in good agreement with previously published models, although it presents slightly sharper gardients in orogenic areas such as the Pyrenees or the Betic-Rif system. Crustal and mantle P- and S-wave wave speed grids were built separately on each side of the Moho depth surface by weighted average of existing models, thus allowing to realistically render the speed gradients across that interface. The associated weighted standard deviation was also calculated, which provides an uncertainty estimation on the average wave speed values at any point of the grid. At shallow depths (<10 km), low P and S wave speeds and high VP/VS are observed in offshore basins, while the Iberian Massif, which covers a large part of western Iberia, appears characterized by a rather flat Moho, higher than average VP and VS and low VP/VS. Conversely, the Betic-Rif system seems to be associated with low VP and VS, combined with high VP/VS in comparison to the rest of the study area. The most prominent feature of the mantle is the well known high wave speed anomaly related to the Alboran slab imaged in various mantle tomography studies. The consistency of PRISM3D with previous work is verified by comparing it with two recent studies, with which it shows a good general agreement.The impact of the new 3-D model is illustrated through a simple synthetic experiment, which shows that the lateral variations of the wave speed can produce traveltime differences ranging from –1.5 and 1.5 s for P waves and from –2.5 and 2.5 s for S waves at local to regional distances. Such values are far larger than phase picking uncertainties and would likely affect earthquake hypocentral parameter estimations. The new 3-D model thus provides a basis for regional studies including earthquake source studies, Earth structure investigations and geodynamic modelling of Iberia and its surroundings.

Arroucau, P.↗
DOE OSTI2021

LL18-Signal Analysis-NDD2Ad (Final Report)

Under favorable circumstances, seismic waveforms corresponding to an ensemble of events related by a common, spatially-distributed process collectively exhibit a regular, signal-space geometry. When events in the ensemble have a common, or nearly common, source mechanism, this geometry is a distorted image of the distribution of events in the source region. The signal space image can be visualized using a relatively simple waveform alignment and projection operation. Ensemble waveform correlation measurements can be inverted to estimate the distribution of the events in the source region, up to an arbitrary rotation, reflection, and scaling with residual distortion. We demonstrate these concepts with synthetic waveforms and with observations of long-wall mining induced seismicity for which substantial ground truth information is available. Our experience with these data has implications for location, correlation detection and machine learning, and possible application to studies of repeating events in induced, volcanic, and glacial seismicity. Our results place limits on the widely-held assumption that waveform correlation is a useful measure of event separation. We suggest that the constraints on event separation need to be evaluated in the context of a population of related events, whose waveforms sample the signal space image of the source region. A better indicator of event separation is the length of the shortest path in signal space along the image.

58 GEOSCIENCES↗