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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Environmental fatigue of an Al-Li-Cu alloy. Part 3: Modeling of crack tip hydrogen damage

Environmental fatigue crack propagation rates and microscopic damage modes in Al-Li-Cu alloy 2090 (Parts 1 and 2) are described by a crack tip process zone model based on hydrogen embrittlement. Da/dN sub ENV equates to discontinuous crack advance over a distance, delta a, determined by dislocation transport of dissolved hydrogen at plastic strains above a critical value; and to the number of load cycles, delta N, required to hydrogenate process zone trap sites that fracture according to a local hydrogen concentration-tensile stress criterion. Transgranular (100) cracking occurs for process zones smaller than the subgrain size, and due to lattice decohesion or hydride formation. Intersubgranular cracking dominates when the process zone encompasses one or more subgrains so that dislocation transport provides hydrogen to strong boundary trapping sites. Multi-sloped log da/dN-log delta K behavior is produced by process zone plastic strain-hydrogen-microstructure interactions, and is determined by the DK dependent rates and proportions of each parallel cracking mode. Absolute values of the exponents and the preexponential coefficients are not predictable; however, fractographic measurements theta sub i coupled with fatigue crack propagation data for alloy 2090 established that the process zone model correctly describes fatigue crack propagation kinetics. Crack surface films hinder hydrogen uptake and reduce da/dN and alter the proportions of each fatigue crack propagation mode.

Piascik, Robert S.↗
DOE OSTI2018

Study of In-Trap Ion Clouds by Ion Trajectory Simulations

Gaussian distribution has been utilized to describe the global number density distribution of ion cloud in the Paul trap, which is known as the thermal equilibrium theory and widely used in theoretical modeling of ion clouds in the ion traps. Using ion trajectory simulations, however, the ion clouds can now also be treated as a dynamic ion flow field and the location-dependent features could now be characterized. This study was carried out to better understand the in-trap ion cloud properties, such as the local particle velocity and temperature. The local ion number densities were found to be heterogeneously distributed in terms of mean and distribution width; the velocity and temperature of the ion flow varied with pressure depending on the flow type of the neutral molecules; and the “quasi-static” equilibrium status can only be achieved after a certain number of collisions, for which the time period is pressure-dependent. This work provides new insights of the ion clouds that are globally stable but subjected to local rf heating and collisional cooling. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Ground-Active Arthropod Diversity Under Energycane and Biomass Sorghum Production

Energycane and biomass sorghum are two of the most promising cellulosic energy crops in the southeastern US. Research on these two energy crops has focused mainly on biomass production, and there is a lack of knowledge on their ability to promote biodiversity and ecosystem services. This paper presents results from a comprehensive study on ground-active arthropod diversity in seven sites across five states in the southeastern US (Florida, Georgia, Louisiana, Mississippi, and Texas). Pitfall traps were deployed four times during each crop season for energycane, biomass sorghum, and a local reference conventional crop from 2020 to 2022. Arthropod abundance (individuals/(trap × day)) values were 4.9 ± 0.46, 3.7 ± 0.18, and 2.6 ± 0.16 (mean ± stderr) for conventional crops, biomass sorghum, and energycane, respectively, with a significant difference found only between conventional crops and energycane. Individuals were identified to arthropod orders, and Hill’s diversity indices were calculated based on the number of individuals in each arthropod order instead of the number of individuals in each arthropod species. Order-based arthropod richness values were 5.3, 5.2, and 4.8 for biomass sorghum, conventional crops, and energycane, with significant difference found only between biomass sorghum and energycane. There was no significant difference in the order-based Shannon diversity and Simpson diversity between the three crop types. The effective number of arthropod orders for the two energy crops decreased from 5.0 to 3.4 to 2.9 with increasing order of diversity from arthropod richness to Shannon diversity to Simpson diversity. The explained variability by environmental factors also decreased with increasing Hill’s order of diversity. The results from this study indicate no significant advantage in order-based arthropod diversity in growing biomass sorghum and energycane. This research fills a critical knowledge gap in understanding the impacts of cellulosic energy crop production on biodiversity and ecosystem services.

Yang, Yubin↗
DOE OSTI2022

Dispersive optical systems for scalable Raman driving of hyperfine qubits

Hyperfine atomic states are among the most promising candidates for qubit encoding in quantum information processing. In atomic systems, hyperfine transitions are typically driven through a two-photon Raman process by a laser field which is amplitude modulated at the hyperfine qubit frequency. Here we introduce a method for generating amplitude modulation by phase modulating a laser and reflecting it from a highly dispersive optical element known as a chirped Bragg grating. This approach is passively stable, offers high efficiency, and is compatible with high-power laser sources, enabling large Rabi frequencies and improved quantum coherence. We benchmark this approach by globally driving an array of approximately 300 neutral 87 Rb atomic qubits trapped in optical tweezers and obtain Rabi frequencies of 2 MHz with photon-scattering error rates of less than 2×10 -4 per π pulse. This robust approach can be directly integrated with local addressing optics in both neutral atom and trapped ion systems to facilitate high-fidelity single-qubit operations for quantum information processing.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Silver migration and trapping in ion implanted ZnO single crystals

Potentially, group-Ib elements (Cu, Ag, and Au) incorporated on Zn sites can be used for p-type doping of ZnO, and in the present paper, we use ion implantation to introduce Ag atoms in wurtzite ZnO single crystals. Monitoring the Li behavior, being a residual impurity in the crystals, as a tracer, we demonstrate that Zn interstitials assist the Ag diffusion and lead to Ag pile-up behind the implanted region after annealing above 800 °C. At even higher temperatures, a pronounced Ag loss from the sample surface occurs and concurrently the Ag atoms exhibit a trap-limited diffusion into the crystal bulk with an activation energy of ∼2.6 eV. The dominant traps are most likely Zn vacancies and substitutional Li atoms, yielding substitutional Ag atoms. In addition, formation of an anomalous multipeak Ag distribution in the implanted near-surface region after annealing can be attributed to local implantation-induced stoichiometry disturbances leading to trapping of the Ag atoms by O and Zn vacancies in the vicinity of the surface and in the end-of-range region, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Local-time survey of plasma at low altitudes over the auroral zones.

Local-time survey of the low-energy proton and electron intensities precipitated into the earth's atmosphere over the auroral zones during periods of magnetic quiescence. This survey was constructed by selecting a typical individual satellite crossing of this region in each of eight local-time sectors from a large library of similar observations with the polar-orbiting satellite Injun 5. The trapping boundary for more-energetic electron intensities, E greater than 45 keV, was found to be a 'natural coordinate' for delineating the boundary between the two major types of lower-energy, 50 less than or equal to E less than or equal to 15,000 eV, electron precipitation commonly observed over the auroral zones at low altitudes. Poleward of this trapping boundary inverted 'V' electron precipitation bands are observed in all local-time sectors. These inverted 'V' electron bands in the evening and midnight sectors are typically more energetic and have greater latitudinal widths than their counterparts in the noon and morning sectors. In general, the main contributors to the electron energy influx into the earth's atmosphere over the auroral zones are the electron inverted 'V' precipitation poleward of the trapping boundary in late evening, the plasma-sheet electron intensities equatorward of this boundary in early morning, and both of these precipitation events near local midnight.

Frank, L. A.↗
DOE OSTI2021

Optical vortex manipulation for topological quantum computation

Topological quantum computation based on Majorana bound states may enable new paths to fault-tolerant quantum computing. Several recent experiments have suggested that the vortex cores of topological superconductors, such as iron-based superconductors, may host Majorana bound states at zero energy. However, quantum computation with these zero-energy vortex bound states requires precise and fast manipulation of individual vortices, which is difficult to do in a scalable manner. To address this issue, in this study we propose a control scheme based on local heating via, for example, scanning optical microscopy to braid vortex-bound Majorana zero modes in a two-dimensional topological superconductor. First, we derive the conditions required for transporting a single vortex between two defects in the superconducting material by trapping it with a hot spot generated by local optical heating. Equipped with critical conditions for the vortex motion, we then establish the ideal material properties for vortex braiding and describe how transition errors resulting from finite speed and/or temperature can be minimized. Our work paves the way toward optical or microscopic control of zero-energy vortex bound states in two-dimensional topological superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

The Influence of Local Distortions on Proton Mobility in Acceptor Doped Perovskites

Optimizing proton conduction in solids remains the most promising solution for achieving intermediate temperature (~750–1000 K) solid oxide fuel cell devices, and enabling selective membranes for H 2 separation. Proton conduction, a thermally activated process, exhibits its highest rates in yttrium (Y) acceptor doped BaZrO 3 at an optimal doping level of 20% Y. The presence of extended defects such as grain boundaries has typically generated a wide variability in reported conductivity values. This has hindered a fundamental mechanistic understanding of how (acceptor) doping levels correlate with the activation energy of protons to produce an optimal doping level for fast proton transport. While isolated dopants have been suggested as the primary source of proton trapping, our results indicate that it is the local dopant-density that matters. Here in this work, we show that increasing the local dopant density promotes localized lattice distortions in the presence of point defects such as oxygen-vacancies or proton interstitials. An increasing distortion amplitude traps the point defects more strongly in the form of polarons, forming defect-clusters at higher concentrations. This leads to a monotonic increase in the activation energy (and hence a decrease in proton mobility) as observed in our measurements. The optimum doping level can now be explained as a competition between increasing proton concentration with doping levels and increasing activation energy due to defect-clusters formed by defect-polarons. Based on our findings, we demonstrate how to improve proton conductivity in doped BaZrO 3 , by inhibiting this dopant-lattice polaronic interaction. Finally, this approach should be generally applicable for ionic conduction in perovskite oxides such as oxygen-ion conduction in solid-oxide fuel cells and alkali-ion conduction in solid-state batteries where carriers might get trapped as defect-polarons.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High impact of bacterial predation on cyanobacteria in soil biocrusts

Diverse bacteria lead a life as pathogens or predators of other bacteria in many environments. However, their impact on emerging ecological processes in natural settings remains to be assessed. Here we describe a novel type of obligate, intracellular predatory bacterium of widespread distribution that preys on soil cyanobacteria in biocrusts. The predator, Candidatus Cyanoraptor togatus, causes localized, cm-sized epidemics that are visible to the naked eye, obliterates cyanobacterial net primary productivity, and severely impacts crucial biocrust properties like nitrogen cycling, dust trapping and moisture retention. The combined effects of high localized morbidity and areal incidence result in decreases approaching 10% of biocrust productivity at the ecosystem scale. Our findings show that bacterial predation can be an important loss factor shaping not only the structure but also the function of microbial communities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Synthetic Ligand Selection Affects Stoichiometry, Carrier Dynamics, and Trapping in CuInSe 2 Nanocrystals

CuInSe 2 nanocrystals exhibit tunable near-infrared bandgaps that bolster utility in photovoltaic applications as well as offer potential as substitutes for more-toxic Cd- and Pb-based semiconductor compositions. However, they can present a variety of defect states as well as unusual photophysics. In this work, we examine the effects of ligand composition (oleylamine, diphenylphosphine, and tributylphosphine) on carrier dynamics in these materials. Via spectroscopic measurements such as photoluminescence and transient absorption, we find that ligands present during the synthesis of CuInSe 2 nanocrystals impart non-radiative electronic states which compete with radiative recombination and give rise to low photoluminescence quantum yields. We characterize the nature of these defect states (hole vs. electron traps) and investigate whether they exist at the surface or interior of the nanocrystals. Carrier lifetimes are highly dependent on ligand identity where oleylamine-capped nanocrystals exhibit rapid trapping (< 20 ps) followed by diphenylphosphine (< 500 ps) and finally tributylphosphine (> 2 ns). A majority of carrier population localizes at indium copper antisites (electrons), copper vacancies (holes), or surface traps (electrons and/or holes), all of which are non-emissive.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Internal structure of the San Jacinto fault zone at Jackass Flat from data recorded by a dense linear array

The internal structure of the Clark fault in the trifurcation area of the San Jacinto fault zone is imaged using seismograms recorded by a dense linear array (Jackass Flat, JF) crossing the surface trace of the fault and an adjacent array (TR) to the SW. Delay times between phase arrivals associated with ~3500 local earthquakes and nine teleseismic events are used to estimate velocity variations within the arrays. The teleseismic P waves travel faster beneath the TR than the JF array, in contrast to larger scale tomographic results. Statistical analysis of local P-wave delay times indicates that the entire JF array, with an aperture of ~400 m, is inside a low-velocity damage zone. This low-velocity zone is bounded on the NE side by a shallow bimaterial interface generating fault zone head waves, and it contains an inner zone of more intense damage generating fault zone trapped waves. The P-wave velocity contrast across the local bounding bimaterial interface is 10–15 per cent. The trapping structure is associated with a width of ~200 m, S-wave velocity reduction of ~35 per cent with respect to the surrounding rock, Q-value of ~20 and depth of ~3.5 km. The imaging results suggest that the main seismogenic fault is near the SW end of the JF array, in agreement with a prominent geomorphologic feature. The existence of intense local damage on the crustal block with faster larger scale velocity at depth is consistent with common propagation of earthquake ruptures in the area to the NW.

58 GEOSCIENCES↗
DOE OSTI2018

Harvesting effects on wild bee communities in bioenergy grasslands depend on nesting guild

Conversion of annual crops to native perennial grasslands for bioenergy production may help conserve wild bees by enhancing nest and food resources. However, bee response to the disturbance of biomass harvesting may depend on their nesting location, thus their vulnerability to nest destruction, and the response of the forb community on which they forage. Moreover, because bees have long foraging ranges, effects of local harvesting may depend on the amount of natural habitat in the surrounding landscape. We performed a large-scale one- and two-year experiment in Michigan and Wisconsin, USA, respectively, to examine how grassland harvesting, landscape context, and study year affect the forb community, above- and belowground-nesting bee species richness, community composition, trap nest emergence, and visitation rate. In Wisconsin, harvesting increased forb richness, cover, and evenness compared to unharvested control sites. Harvesting negatively affected aboveground-nesting bee richness and emergence from trap nests, possibly because of nest destruction during the previous harvest. By contrast, harvesting positively affected belowground-nesting bee richness, possibly because of the greater food resource availability and reduced thatch allowing greater access to nesting sites in the soil. Harvesting also affected bee community composition, reflecting the increase in belowground-nesting species at harvested sites. Despite harvesting effects on forb and bee communities, there was no effect on flower visitation rate, indicating little effect on pollination function. We did not find a harvest by landscape context interaction, which, in combination with the negative harvesting effect on trap nest emergence, suggests that harvesting can affect local population growth rather than simply affecting forager aggregation in different resource environments. For bees, there was no harvest by study year interaction, indicating a consistent response over a short timescale. Similarly, in Michigan, belowground-nesting species also responded positively to harvesting, which was more pronounced in sandier soils that are preferred for nesting. However, other components of the Michigan bee and forb communities were not significantly affected by biomass harvesting. Overall, our study demonstrates that harvesting grasslands can positively affect the ~80% of bee species that nest belowground by enhancing nest and/or forage resources, but that conserving aboveground nesters may require leaving some area unharvested.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

CP symmetry and thermal effects on Dirac bi-spinor spin–parity local correlations

Intrinsic quantum correlations supported by the SU(2)ⓍSU(2) structure of the Dirac equation used to describe particle/antiparticle states, optical ion traps and bilayer graphene are investigated and connected to the description of local properties of Dirac bi-spinors. For quantum states driven by Dirac-like Hamiltonians, quantum entanglement and geometric discord between spin and parity degrees of freedom – sometimes mapped into equivalent low energy internal degrees of freedom – are obtained. Such spin–parity quantum correlations and the corresponding nonlocal intrinsic structures of bi-spinor fermionic states can be classified in order to relate quantum observables to the (non)local behavior of these correlations. It is shown that free particle mixed states do not violate the Clauser–Horne–Shimony–Holt inequality: the correlations in such mixed bi-spinors, although quantum, can be reproduced by a suitable local hidden variable model. Additionally, the effects due to a non-minimal coupling to a homogeneous magnetic field, and to the inclusion of thermal effects are evaluated, and quantum correlations of associated quantum mixtures and of the thermal states are all quantified. The above-mentioned correlation quantifiers are then used to measure the influence of CP transformations on spin–parity quantum correlations, and our results show that quantum entanglement is invariant under CP transformations, although the geometric discord is highly sensitive to the CP symmetry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

An Atomistic Study of Reactivity in Solid-State Electrolyte Interphase Formation for Li/Li7P3S11

Lithium metal batteries offer superior volumetric and gravimetric specific capacities compared to those based on traditional graphite anodes. Although advancements in solid-state electrolytes address safety concerns, challenges remain, particularly regarding interphase formation in lithium metal anodes. This work presents a computational framework based on high-throughput first-principles density functional theory and machine-learning interatomic potentials (MLIPs) including automated iterative, active learning to enable robust computational exploration of interphase formation between lithium metal anodes and an inorganic solid-state electrolyte. As a demonstration, we apply the framework to a Li/Li7P3S11 interface and find that it accurately identifies the experimentally observed, thermodynamically stable interphase products as well as their overall spatial arrangement within a heterogeneous, amorphous layered structure, with Li2S domains of nanocrystallinity. Our simulations show two stages, a fast and slow diffusion reaction regime, that corroborate the relative phase formation rate of Li x P, Li2S, and Li3P. Using the Onsager transport theory, we capture time-dependent ionic diffusion within the reacting interface, including cross-correlation effects. We found that cross-correlation effects between Li-P and P-S ionic motion significantly influence P-ion diffusion, making it highly sensitive to the local environment and potentially leading to "kinetic trapping" of Li-P phases. The passivation of the interface is shown as the ionic fluxes all approach zero, effectively halting interphase growth.

Diffusion↗
DOE OSTI2019

Asynchronous Photoexcited Electronic and Structural Relaxation in Lead-Free Perovskites

Vacancy-ordered lead free perovskites with more stable crystalline structure have been intensively explored as the alternatives for resolving the toxic and long-term stable issues of Lead halide perovskites (LHPs). The dispersive energy bands produced by the closely packed halide octahedral sublattice in these perovskites are meanwhile anticipated to facility the mobility of charge carriers. However, these perovskites suffer from unexpectedly poor charge carrier transport. To tackle this issue, we have employed the ultrafast, elemental-specific X-ray transient absorption (XTA) spectroscopy to directly probe the photoexcited electronic and structural dynamics of a prototypical vacancy-ordered lead-free perovskite (Cs 3 Bi 2 Br 9 ). We have discovered that the photogenerated holes quickly self-trapped at Br centers, simultaneously distorting the local lattice structure, likely forming small polarons in the configuration of V k center (Br 2 - dimer). More significantly, we have found a surprisingly long-lived, structural distorted state with a lifetime of ~ 59 μs, which is about three orders of magnitude slower than that of the charge carrier recombination. Such long-lived structural distortion may produce a transient “background” under continuous light illumination, influencing the charge carrier transport along the lattice framework.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Processes setting the structure of the electron distribution function within the exhausts of anti-parallel reconnection

In situ spacecraft observations within the exhausts of magnetic reconnection document a large variation in the velocity space structure of the electron distribution function. Multiple mechanisms help govern the underlying electron dynamics, yielding a range of signatures for collisionless reconnection. These signatures include passing beams of electrons separated by well-defined boundaries from betatron heated/cooled trapped electrons. The present study emphasizes how localized regions of non-adiabatic electron dynamics can mix electrons across the trapped/passing boundaries and impact the form of the electron distributions in the full width of the exhaust. Here, while our study is based on 2D simulations, the described principles shaping the velocity space distributions also apply to 3D geometries making our findings relevant to spacecraft observation of reconnection in the Earth's magnetosphere.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Electron cyclotron resonance (ECR) magnetometry with a plasma reservoir

The local magnetic field in a Penning–Malmberg trap is found by measuring the temperatures that result when electron plasmas are illuminated by microwave pulses. Multiple heating resonances are observed as the pulse frequencies are swept. The many resonances are due to electron bounce and plasma rotation sidebands. The heating peak corresponding to the cyclotron frequency resonance is identified to determine the magnetic field. A new method for quickly preparing low density electron plasmas for destructive temperature measurements enables a rapid and automated scan of microwave frequencies. This technique can determine the magnetic field to high precision, obtaining an absolute accuracy better than 1 ppm and a relative precision of 26 ppb. One important application is in situ magnetometry for antihydrogen-based tests of charge-parity-time symmetry and of the weak equivalence principle.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Internal structure of the San Jacinto fault zone at Blackburn Saddle from seismic data of a linear array

Local and teleseismic earthquake waveforms recorded by a 180-m-long linear array (BB) with seven seismometers crossing the Clark fault of the San Jacinto fault zone northwest of Anza are used to image a deep bimaterial interface and core damage structure of the fault. Delay times of P waves across the array indicate an increase in slowness from the southwest most (BB01) to the northeast most (BB07) station. Automatic algorithms combined with visual inspection and additional analyses are used to identify local events generating fault zone head and trapped waves. The observed fault zone head waves imply that the Clark fault in the area is a sharp bimaterial interface, with lower seismic velocity on the southwest side. The moveout between the head and direct P arrivals for events within ~40 km epicentral distance indicates an average velocity contrast across the fault over that section and the top 20 km of 3.2 per cent. A constant moveout for events beyond ~40 km to the southeast is due to off-fault locations of these events or because the imaged deep bimaterial interface is discontinuous or ends at that distance. The lack of head waves from events beyond ~20 km to the northwest is associated with structural complexity near the Hemet stepover. Events located in a broad region generate fault zone trapped waves at stations BB04–BB07. Waveform inversions indicate that the most likely parameters of the trapping structure are width of ~200 m, S velocity reduction of 30–40 per cent with respect to the bounding blocks, Q value of 10–20 and depth of ~3.5 km. The trapping structure and zone with largest slowness are on the northeast side of the fault. The observed sense of velocity contrast and asymmetric damage across the fault suggest preferred rupture direction of earthquakes to the northwest. This inference is consistent with results of other geological and seismological studies.

58 GEOSCIENCES↗