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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Feed System Design Considerations for Large Space Antenna Systems. Part 2: Single Aperture with Overlapping Feeds

Contiguous multiple beams are used to make use of the set of frequency bands at different beams at different geographical locations and achieve the most efficient use of precious frequency allocation. This is feasible only if the interference among cochannel beams is below some acceptable level, by carrier/interference (C/I) ratio. Individual beam patterns of very low sidelobes, which in turn necessitates narrow feed are required. A physically realizable solution to this problem entails either more than one reflector, more complicated optics, or breaking of each feed into a cluster of smaller elements, some of which would then be shared by adjacent beams. The latter, however, requires a complicated beamforming network (BFN) for the proper feeding of the elements. The feedpacking problem is not unique to reflector antennas and exists in lens type antennas as well. The BFN and associated problems are present in the phased array antennas and on a much larger scale. Poor scan capabilities are associated with reflector systems. The scan properties of offset fed reflector systems can be improved by choosing a very large focal length to parent reflector diameter ((F/Dp) ratio, which requires a longer boom to support the feed. In the case of reflectors with cluster feed arrangements, the scan capability for smaller F/Dp ratios is improved by proper adjustment of cluster element excitations. Such a system seems to be appropriate for up to 10 beamwidths scan. For a larger number of beams, systems with wider scan capabilities, such as phased arrays or phased array/reflector combinations, become more appealing.

Jamnejad, V.↗
DOE OSTI2023

Atomic-scale probing of short-range order and its impact on electrochemical properties in cation-disordered oxide cathodes

Abstract Chemical short-range-order has been widely noticed to dictate the electrochemical properties of Li-excess cation-disordered rocksalt oxides, a class of cathode based on earth abundant elements for next-generation high-energy-density batteries. Existence of short-range-order is normally evidenced by a diffused intensity pattern in reciprocal space, however, derivation of local atomic arrangements of short-range-order in real space is hardly possible. Here, by a combination of aberration-corrected scanning transmission electron microscopy, electron diffraction, and cluster-expansion Monte Carlo simulations, we reveal the short-range-order is a convolution of three basic types: tetrahedron, octahedron, and cube. We discover that short-range-order directly correlates with Li percolation channels, which correspondingly affects Li transport behavior. We further demonstrate that short-range-order can be effectively manipulated by anion doping or post-synthesis thermal treatment, creating new avenues for tailoring the electrochemical properties. Our results provide fundamental insights for decoding the complex relationship between local chemical ordering and properties of crystalline compounds.

25 ENERGY STORAGE↗
DOE OSTI2014

Communication: He-tagged vibrational spectra of the SarGlyH{sup +} and H{sup +}(H{sub 2}O){sub 2,3} ions: Quantifying tag effects in cryogenic ion vibrational predissociation (CIVP) spectroscopy

To assess the degree to which more perturbative, but widely used “tag” species (Ar, H{sub 2}, Ne) affect the intrinsic band patterns of the isolated ions, we describe the extension of mass-selective, cryogenic ion vibrational spectroscopy to the very weakly interacting helium complexes of three archetypal ions: the dipeptide SarGlyH{sup +} and the small protonated water clusters: H{sup +}(H{sub 2}O){sub 2,3}, including the H{sub 5}O{sub 2}{sup +} “Zundel” ion. He adducts were generated in a 4.5 K octopole ion trap interfaced to a double-focusing, tandem time-of-flight photofragmentation mass spectrometer to record mass-selected vibrational predissociation spectra. The H{sub 2} tag-induced shift (relative to that by He) on the tag-bound NH stretch of the SarGlyH{sup +} spectrum is quite small (12 cm{sup −1}), while the effect on the floppy H{sub 5}O{sub 2}{sup +} ion is more dramatic (125 cm{sup −1}) in going from Ar (or H{sub 2}) to Ne. The shifts from Ne to He, on the other hand, while quantitatively significant (maximum of 10 cm{sup −1}), display the same basic H{sub 5}O{sub 2}{sup +} band structure, indicating that the He-tagged H{sub 5}O{sub 2}{sup +} spectrum accurately represents the delocalized nature of the vibrational zero-point level. Interestingly, the He-tagged spectrum of H{sup +}(H{sub 2}O){sub 3} reveals the location of the non-bonded OH group on the central H{sub 3}O{sup +} ion to fall between the collective non-bonded OH stretches on the flanking water molecules in a position typically associated with a neutral OH group.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Identifying structural changes with unsupervised machine learning methods

In this work, unsupervised machine learning methods are used to identify structural changes using the melting point transition in classical molecular dynamics simulations as an example application of the approach. Dimensionality reduction and clustering methods are applied to instantaneous radial distributions of atomic configurations from classical molecular dynamics simulations of metallic systems over a large temperature range. Principal component analysis is used to dramatically reduce the dimensionality of the feature space across the samples using an orthogonal linear transformation that preserves the statistical variance of the data under the condition that the new feature space is linearly independent. From there, k-means clustering is used to partition the samples into solid and liquid phases through a criterion motivated by the geometry of the reduced feature space of the samples, allowing for an estimation of the melting point transition. This pattern criterion is conceptually similar to how humans interpret the data but with far greater throughput, as the shapes of the radial distributions are different for each phase and easily distinguishable by humans. The transition temperature estimates derived from this machine learning approach produce comparable results to other methods on similarly small system sizes. These results show that machine learning approaches can be applied to structural changes in physical systems.

42 ENGINEERING↗
DOE OSTI2018

Short-Range Order in α-FeAl Soft Magnetic Alloy

The atomic structure of iron–aluminum alloy samples containing about 7 at % of aluminum (α region of the phase diagram) was investigated by X-ray diffraction. The samples were annealed in the paramagnetic (T > {sup T}{sub C}) and ferromagnetic (T < T{sub C}) states. In the first case, the structural state was fixed by quenching from the annealing temperature in water, and, in the second case, by slow cooling. Diffraction patterns of single-crystal samples were taken on an X-ray four-circle diffractometer. It is shown that local ordering, regardless of the prehistory of a sample, is a combination of B2-phase clusters (the CsCl type structure), which were previously found in iron–silicon alloys with Si content up to 10%, and small regions with D0{sub 3} short-range order. The former consist of two B2-cells having a common face, while the latter consist predominantly of one unit cell of the D0{sub 3}-phase. Within the accuracy of the experiment, no significant difference in the structural states in the paramagnetic and ferromagnetic phases was observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2002

CNO abundances in the quintuplet cluster M supergiant 5-7

We present and analyze infrared spectra of the supergiant VR 5-7, in the Quintuplet cluster 30 pc from the Galactic center. Within the uncertainties, the [C/H],[N/H], and [O/H] abundances in this star are equal of Ori, a star which exhibits mixing of CNO processed elements, but distinct from the abundance patterns in IRS 7.

stars Galactic Center↗
DOE OSTI2016

Growth and characterization of cubic and non-cubic Ge nanocrystals

Germanium nanocrystals with tetragonal (ST-12) and diamond like cubic (Ge-I) phases have been selectively grown by controlling the ionization and electrostatic potential of Ge clusters in an ion cluster beam deposition system. Predominantly tetragonal nanocrystals were obtained when grown using neutral clusters. The percentage of cubic phase increased when grown by ionizing the clusters and accelerating them towards substrates by applying electrostatic bias in the range of 1.5 –2.5 kV. Raman spectroscopic measurement showed strong peak at 275 cm{sup −1} and 300 cm{sup −1} for tetragonal and cubic Ge nanocrystals, respectively. TEM measurements showed crystalline lattice fringes of both type of the nanocrystals. The selected area electron diffraction patterns showed (111) and (210) as the dominating lattice planes for tetragonal nanocrystals while the cubic phases had (111), (311) and (331) as the prominent lattice planes. The optical absorption edge redshifted from 1.75 to 1.55 eV as the percentage of the cubic phases increased in the NC composition in the composite film.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Formation, gravitational clustering, and interactions of nonrelativistic solitons in an expanding universe

We investigate the formation, gravitational clustering and interactions of solitons in a self-interacting, non-relativistic scalar field in an expanding universe. Rapid formation of large number of solitons is driven by attractive self-interactions of the field, whereas the slower clustering of solitons is driven by gravitational forces. Driven closer together by gravity, we see a rich plethora of dynamics in the soliton "gas" including mergers, scatterings and formation of soliton binaries. Here, the numerical simulations are complemented by analytic calculations and estimates of (i) the relevant instability length and time scales, (ii) individual soliton profiles and their stability, (iii) number density of produced solitons, and (iv) the two point correlation function of soliton positions as evidence for gravitational clustering.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2013

Current Structure and Nonideal Behavior at Magnetic Null Points in the Turbulent Magnetosheath

The Poincaré index indicates that the Cluster spacecraft tetrahedron entraps a number of 3-D magnetic nulls during an encounter with the turbulent magnetosheath. Previous researchers have found evidence for reconnection at one of the many filamentary current layers observed by Cluster in this region. We find that many of the entrained nulls are also associated with strong currents. We dissect the current structure of a pair of spiral nulls that may be topologically connected. At both nulls, we find a strong current along the spine, accompanied by a somewhat more modest current perpendicular to the spine that tilts the fan toward the axis of the spine. The current along the fan is comparable to the that along the spine. At least one of the nulls manifests a rotational flow pattern in the fan plane that is consistent with torsional spine reconnection as predicted by theory. These results emphasize the importance of examining the magnetic topology in interpreting the nature of currents and reconnection in 3-D turbulence.

cluster↗
DOE OSTI2024

Dual Channel Dual Staging: Hierarchical and Portable Staging for GPU-Based In-Situ Workflow

In-situ workflows have emerged as an attractive approach for addressing data movement challenges at very large scales. Since GPU-based architectures dominate the HPC landscapes, porting these in-situ workflows, and, specifically, the inter-application data exchange, to GPU-based systems can be challenging. Technologies such as GPUDirect RDMA (GDR), which is typically used for I/O in GPU applications as an optimization that circumvents the CPU overhead, can be leveraged to support bulk data exchanges between GPU applications. However, current GDR design often lacks performance portability across HPC clusters built with different hardware configurations. Furthermore, the local CPU may also be effectively used as an auxiliary communication mechanism to offload data exchanges. In this paper, we present a dual channel dual staging approach for efficient, scalable, and performance-portable inter-application data exchange for in-situ workflows. This approach exploits the data access pattern within in-situ workflows along with the inherent execution asynchrony to accelerate data exchanges and, at the same time, improve performance portability. Specifically, the dual channel dual staging method leverages both the local CPU and the remote data staging server to build a hierarchical joint staging area and uses this staging area to transform blocking inter-application bulk data exchanges into best-effort local data movements between GPU and CPU. The dual channel dual staging is implemented as a portability extension of the Dataspaces-GPU staging framework. We present an experimental evaluation of its performance, portability, and scalability using this implementation on three leadership GPU clusters. The evaluation results demonstrate that the dual channel dual staging method saves up to 75% in data-exchange time compared to host-based, GDR, and alternate portable designs, while maintaining scalability (up to 512 GPUs) and performance portability across the three platforms.

Zhang, Bo [University of Utah]↗
DOE OSTI2021

Single-cell RNA sequencing of batch Chlamydomonas cultures reveals heterogeneity in their diurnal cycle phase

The photosynthetic unicellular alga Chlamydomonas (Chlamydomonas reinhardtii) is a versatile reference for algal biology because of its ease of culture in the laboratory. Genomic and systems biology approaches have previously described transcriptome responses to environmental changes using bulk data, thus representing the average behavior from pools of cells. Here, we apply single-cell RNA sequencing (scRNA-seq) to probe the heterogeneity of Chlamydomonas cell populations under three environments and in two genotypes differing by the presence of a cell wall. First, we determined that RNA can be extracted from single algal cells with or without a cell wall, offering the possibility to sample natural algal communities. Second, scRNA-seq successfully separated single cells into nonoverlapping cell clusters according to their growth conditions. Cells exposed to iron or nitrogen deficiency were easily distinguished despite a shared tendency to arrest photosynthesis and cell division to economize resources. Notably, these groups of cells not only recapitulated known patterns observed with bulk RNA-seq but also revealed their inherent heterogeneity. A substantial source of variation between cells originated from their endogenous diurnal phase, although cultures were grown in constant light. We exploited this result to show that circadian iron responses may be conserved from algae to land plants. We document experimentally that bulk RNA-seq data represent an average of typically hidden heterogeneity in the population.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Ab Initio Study of the Beryllium Isotopes 7 Be to 12 Be

We present a systematic ab initio study of the low-lying states in beryllium isotopes from 7 Be to 12 Be using nuclear lattice effective field theory with the N 3 ⁢LO interaction. Our calculations achieve good agreement with experimental data for energies, radii, and electromagnetic properties. We introduce a novel, model-independent method to quantify nuclear shapes, uncovering a distinct pattern in the interplay between positive and negative parity states across the isotopic chain. By combining Monte Carlo sampling of the many-body density operator with a novel nucleon-grouping algorithm, the prominent two-center cluster structures, the emergence of one-neutron halo, complex nuclear molecular dynamics such as 𝜋 orbital and 𝜎 orbital, emerge naturally.

binding energy & masses↗
DOE OSTI2021

Electronic surface reconstruction of TiO 2 nanocrystals revealed by resonant inelastic x-ray scattering

The identification of lattice multiphases in TiO 2 nanocrystals is studied by high resolution transmission electron microscope and electron diffraction patterns. Based on the spectroscopic analysis using soft x-ray absorption and resonant inelastic soft x-ray scattering, it is believed that the oxygen vacancies at the interface exhibit structural distortion of the TiO$^{8-}_6$ cluster around the defect site as for the multiphase lattice. We elucidate that the extra 3d electrons nearby induce the inelastic scattering features with the excitation energy dependence owing to different energy relaxation processes, a characteristic of the electron-phonon coupling or the nature of the electron-hole pair at the intermediate state. The manifold dd excitations driven by the strong interaction between Ti-3d and O-2p electrons are noticeably rich, coexisting on both Ti and O sites. Finally, this sophisticated experiment can advance the perspective of nanocomposite TiO 2 for various interactions of surface Ti 3+ in applications of future devices.

36 MATERIALS SCIENCE↗
NASA NTRS1977

X-ray burst sources

Current knowledge of sources of X-ray bursts, defined as having rise times of less than a few seconds, durations of a few seconds to a few minutes and a generally regular recurrence pattern, is reviewed. An examination of the galactic distribution of X-ray burst sources, which has been confirmed by SAS-3 rotating modulation collimator observations, reveals that the burst sources are spread along the galactic equator and clustered near low galactic longitudes, unlike the distribution of globular clusters. At least four X-ray burst sources have been associated with steady X-ray sources based on positional coincidence, and it has been found that the X-ray bursts are less intense but harder than steady X-ray emission from these sources. Individual burst sources, including MXB1659-29, which has not been identified with a steady X-ray source, the source in NGC6624 which has been identified with 3U1820-30, MXB1837+05, associated with Ser X-1, three burst sources near the galactic center and the rapid burster MXB1730-335 are briefly discussed.

Lewin, W. H. G.↗
DOE OSTI2014

Site-specific vibrational spectral signatures of water molecules in the magic H 3 O + (H 2 O) 20 and Cs + (H 2 O) 20 clusters

Significance Understanding the mechanics underlying the diffuse OH stretching spectrum of water is a grand challenge for contemporary physical chemistry. Water clusters play an increasingly important role in this endeavor, as they allow one to freeze and isolate the spectral behavior of relatively large assemblies with well-defined network morphologies. We exploit recently developed, hybrid instruments that integrate laser spectroscopy with cryogenic ion trap mass spectrometry to capture the H 3 O + and Cs + ions in cage structures formed by 20 water molecules. Their infrared spectra reveal a pattern of distinct transitions that is unprecedented for water networks in this size range. Theoretical analysis of these patterns then reveals the intramolecular distortions associated with water molecules at various sites in the 3D cages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Activity Time-Use Patterns and Experienced Satisfaction: Travel Behavioral Dynamics from the 2010–2013 American Time-Use Survey Data

Central to the theory of activity-based approaches is the role of time-use and its impacts on various decision processes related to individual activity-travel patterns, thereby determining ones’ daily well-being. This research aims at quantifying and investigating the underlying correlation of time-use and happiness using the repeated cross-section data from the 2010-2013 American Time Use Survey Well-Being module. The survey specifically records reported levels of activity satisfaction as measured through – happiness, meaningfulness, tiredness, sadness and stress experienced from activity participation. Using these scores, we first construct a composite degree of activity satisfaction that a person experiences using latent class cluster analysis. A series of regression models are then estimated to jointly analyze episodic duration and satisfaction separately for each of years from 2010-2013, by controlling for socioeconomics, household lifecycle stages (29-groups based on age, gender, marital status and presence of children), activity characteristics and global life and health assessment measures. Overall, model estimation results reveal a strong negative correlation between episodic duration and happiness from individual activity engagement patterns. This correlation pattern is temporally stable for the years 2010-2013, with minor variations. Results also suggest that household lifecycle stage has a major impact on activity time-use and satisfaction behavior. Further, single parent and younger couples (25 years to 45 years) with children are more likely to engage in longer and less happy episodes due to family commitments. The model findings also show a strong correlation between health conditions and activity happiness.

Ravulaparthy, Srinath↗
DOE OSTI2022

The emergence and transmission dynamics of HIV-1 CRF07_BC in Mainland China

A total of 1155 partial pol gene sequences of human immunodeficiency virus (HIV)-1 CRF07_BC were sampled between 1997 and 2015, spanning 13 provinces in Mainland China and risk groups [heterosexual, injecting drug users (IDU), and men who have sex with men (MSM)] to investigate the evolution, adaptation, spatiotemporal and risk group dynamics, migration patterns, and protein structure of HIV-1 CRF07_BC. Due to the unequal distribution of sequences across time, location, and risk group in the complete dataset (‘full1155’), subsampling methods were used. Maximum-likelihood and Bayesian phylogenetic analysis as well as discrete trait analysis of geographical location and risk group were carried out. To study mutations of a cluster of HIV-1 CRF07_BC (CRF07-1), we performed a comparative analysis of this cluster to the other CRF07_BC sequences (‘backbone_295’) and mapped the mutations observed in the respective protein structure. Our findings showed that HIV-1 CRF07_BC most likely originated among IDU in Yunnan Province between October 1992 to July 1993 [95 per cent hightest posterior density (HPD): May 1989–August 1995] and that IDU in Yunnan Province and MSM in Guangdong Province likely served as the viral sources during the early and more recent spread in Mainland China. We also revealed that HIV-1 CRF07-1 has been spreading for roughly 20 years and continues to cause local transmission in Mainland China and worldwide. Overall, our study sheds light on the dynamics of HIV-1 CRF07_BC distribution patterns in Mainland China. Our research may also be useful in formulating public health policies aimed at controlling acquired immune deficiency syndrome in Mainland China and globally.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Polychromatic Arm Exponents for the Critical Planar FK-Ising Model

Schramm–Loewner evolution (SLE) is a one-parameter family of random planar curves introduced by Schramm in 1999 as the candidates for the scaling limits of the interfaces in the planar critical lattice models. This is the only possible process with conformal invariance and a certain “domain Markov property”. In 2010, Chelkak and Smirnov proved the conformal invariance of the scaling limits of the critial planar FK-Ising model which gave the convergence of the interface to SLE{sub 16/3}. We derive the arm exponents of SLE{sub κ} for κ∈(4,8). Combining with the convergence of the interface, we derive the arm exponents of the critical FK-Ising model. We obtain six different patterns of boundary arm exponents and three different patterns of interior arm exponents of the critical planar FK-Ising model on the square lattice.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗