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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

A New Architecture for Parallelization of Complex Spacecraft Trajectory Optimization Scans

This paper describes CopScanner, a new component of the Copernicus ecosystem for spacecraft trajectory design and optimization. CopScanner is a Python library being developed at the NASA JSC which enables easy parallelization of Copernicus scans. CopScanner is currently being developed and implemented for production of Copernicus trajectory scans for upcoming Artemis Missions (Artemis II and beyond). On the backend, CopScanner utilizes Dask, an open-source Python library for parallel computing which enables parallelization over both multi-core local machines and large-scale distributed computing clusters. CopScanner abstracts the trajectory scanning process into a DAG which is constructed using a chain of individual subscans. Each node in the DAG executes a python module, called the callable, for which there are built-in defaults, or users may specify their own. Support for custom callables makes CopScanner a versatile trajectory optimization software. All output files and associated metadata from a CopScanner scan are compressed and stored in a two-file output, collectively called the FileStore, consisting of a SQLite database and a compressed JSON MessagePack file, for which CopScanner provides a Python class for interaction.

Quentin Moore↗
NASA NTRS2005

Looking for Interacting Binaries in Old Open Clusters

We requested a 12 ks observation of the old open cluster NGC7142 with the aim to investigate the population of interacting binaries, and compare the properties with those of interacting binaries in other old open clusters. Unfortunately, the observation suffered from long periods of background flaring, and as a result the effective exposure time was shortened to only approximately 25% of the planned exposure. The sensitivity to detect sources in the cluster was therefore much reduced, hampering a useful comparison with other clusters observed with Chandra and XMM. We detect 5 sources (all less than 300 counts) in the full field of view of the detectors; based on the large separations from the cluster center, we expect that at least 3-4 are not associated with the cluster. A brief paper that reports the results is in preparation.

Grindley, Jonathan↗
NASA NTRSDate not supplied

Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning

The ability to perform ab initio molecular dynamics simulations using potential energy surfaces provided by quantum computers would open the door to virtually exact dynamics for a variety of chemical and biochemical systems, with impacts on catalysis and biophysics. Nonetheless, performing molecular dynamics on surfaces produced by quantum hardware has been hampered by the noisy energies typically produced by quantum computers and challenges associated with computing gradients and scaling to large systems interest. A recent set of advances in machine learning, known as transfer learning, provides a new path forward for molecular dynamics simulations on quantum hardware. Transfer learning offers a workaround, where one first trains models on larger, less accurate classical datasets and then refines them on smaller, more accurate quantum datasets. We explore this approach by training machine learning models to predict a molecule's potential energy based on its geometric structure using Behler-Parrinello neural networks. When successfully trained, the model enables energy gradient predictions necessary for dynamic simulations. To reduce the quantum resources needed, the model is initially trained with data derived from classical density functional theory and subsequently refined with a smaller dataset obtained from a variational quantum eigensolver optimization of the unitary coupled cluster ansatz. We show that this approach significantly reduces the size of the needed quantum training dataset while capturing the high accuracies needed within quantum chemistry simulations. The success of this two-step training method opens more opportunities to apply machine learning models on quantum data, a significant stride towards efficient quantum-classical hybrid computational models.

quantum computing↗
DOE OSTI2020

The Milky Way’s stellar streams and globular clusters do not align in a Vast Polar Structure

ABSTRACT There is increasing evidence that a substantial fraction of Milky Way satellite galaxies align in a rotationally supported plane of satellites, a rare configuration in cosmological simulations of galaxy formation. It has been suggested that other Milky Way substructures (namely young halo globular clusters and stellar/gaseous streams) similarly tend to align with this plane, accordingly dubbed the Vast Polar Structure (VPOS). Using systemic proper motions inferred from Gaia data, we find that globular cluster orbital poles are not clustered in the VPOS direction, though the population with the highest VPOS membership fraction is the young halo clusters (∼30 per cent). We additionally provide a current census of stellar streams, including new streams discovered using the Dark Energy Survey and Gaia data sets, and find that stellar stream normals are also not clustered in the direction of the VPOS normal. We also find that, based on orbit modelling, there is a likely association between NGC 3201 and the Gjöll stellar stream and that, based on its orbital pole, NGC 4147 is likely not a Sagittarius globular cluster. That the Milky Way’s accreted globular clusters and streams do not align in the same planar configuration as its satellites suggests that the plane of satellites is either a particularly stable orbital configuration or a population of recently accreted satellites. Neither of these explanations is particularly likely in light of other recent studies, leaving the plane of satellites problem as one of the more consequential open problems in galaxy formation and cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Vacancy-mediated transport and segregation tendencies of solutes in FCC Ni under diffusional creep

Nickel-based alloys are known for their excellent corrosion resistance and high-temperature strength. However, at high temperatures, polycrystals experience grain boundary-stress-driven vacancy diffusion leading to diffusion-driven creep. Understanding the fundamentals of defect migration is essential to predict diffusion creep behavior. In this talk, we explore the Nabarro-Herring diffusion creep and the associated solute segregation that is likely to result from the different diffusivities of the solute and solvent elements. Density functional theory calculations are performed to determine the formation, migration and binding energies of the solute and vacancy defects in stress-free and stressed states. The dilute-limit transport coefficients are then calculated using the self-consistent mean field theory as implemented in the Kinetic Cluster Expansion (KineCluE) code. Predictions of diffusion creep strain rates and solute segregation are then presented for various solutes, stress and temperatures. This work opens research avenues for exploration of diffusion creep via characterization of elemental segregation to grain boundaries.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A GALAH view of the chemical homogeneity and ages of stellar strings identified in Gaia

ABSTRACT The advent of Gaia has led to the discovery of nearly 300 elongated stellar associations (called ‘strings’) spanning hundreds of parsecs in length and mere tens of parsecs in width. These newfound populations present an excellent laboratory for studying the assembly process of the Milky Way thin disc. In this work, we use data from GALAH DR3 to investigate the chemical distributions and ages of 18 newfound stellar populations, 10 of which are strings and 8 of which are compact in morphology. We estimate the intrinsic abundance dispersions in [X/H] of each population and compare them with those of both their local fields and the open cluster (OC) M 67. We find that all but one of these groups are more chemically homogeneous than their local fields. Furthermore, half of the strings, namely Theias 139, 169, 216, 303, and 309, have intrinsic [X/H] dispersions that range between 0.01 and 0.07 dex in most elements, equivalent to those of many OCs. These results provide important new observational constraints on star formation and the chemical homogeneity of the local interstellar medium (ISM). We investigate each population’s Li and chemical clock abundances (e.g. [Sc/Ba], [Ca/Ba], [Ti/Ba], and [Mg/Y]) and find that the ages suggested by chemistry generally support the isochronal ages in all but six structures. This work highlights the unique advantages that chemistry holds in the study of kinematically related stellar groups.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2022

A GALAH View of the Chemical Homogeneity and Ages of Stellar Strings Identified in Gaia

The advent of Gaia has led to the discovery of nearly 300 elongated stellar associations (called ‘strings’) spanning hundreds of parsecs in length and mere tens of parsecs in width. These newfound populations present an excellent laboratory for studying the assembly process of the Milky Way thin disc. In this work, we use data from GALAH DR3 to investigate the chemical distributions and ages of 18 newfound stellar populations, 10 of which are strings and 8 of which are compact in morphology. We estimate the intrinsic abundance dispersions in [X/H] of each population and compare them with those of both their local fields and the open cluster (OC) M 67. We find that all but one of these groups are more chemically homogeneous than their local fields. Furthermore, half of the strings, namely Theias 139, 169, 216, 303, and 309, have intrinsic [X/H] dispersions that range between 0.01 and 0.07 dex in most elements, equivalent to those of many OCs. These results provide important new observational constraints on star formation and the chemical homogeneity of the local interstellar medium (ISM). We investigate each population’s Li and chemical clock abundances(e.g. [Sc/Ba], [Ca/Ba], [Ti/Ba], and [Mg/Y]) and find that the ages suggested by chemistry generally support the isochronal ages in all but six structures. This work highlights the unique advantages that chemistry holds in the study of kinematically related stellar groups.

Stars: abundances↗
NASA NTRS1977

Reindeer range inventory in western Alaska from computer-aided digital classification of LANDSAT data

An inventory of reindeer-range resources was conducted for the USDA Soil Conservation Service of 1.6 million hectares of wildlands in western Alaska using clustering techniques with digital Landsat data. Computer-aided digital analysis produced a provisional map of rangeland types which was used to design the field collection of vegetation and soil types data. This field data facilitated refinement of the inventory map and was used to describe the map units. The informational classes important to range resources were wet, moist and alpine tundra, tidal marsh, brush and open spruce forest. A significant feature of the study was the extraction of acreage figures by administrative boundaries within the study area. In addition to soil and vegetation association map products (at scales of 1:250,000 and 1:63,360) acreage values were tallied from the digital data for each of the four grazing permit areas established by the Bureau of Land Management.

George, T. H.↗
NASA NTRS1997

A 2000 Solar Mass Rotating Molecular Disk Around NGC 6334A

We present millimeter and centimeter wave spectroscopic observations of the H II region NGC 6334A. We have mapped the source in several transitions of CO, CS, and NH3. The molecular emission shows a distinct flattened structure in the east-west direction. This structure is probably a thick molecular disk or torus (2.2 x 0.9 pc) responsible for the bipolarity of the near-infrared (NIR) and radio continuum emission which extends in two "lobes" to the north and south of the shell-like H II region. The molecular disk is rotating from west to east (omega approximately equals 2.4 km/s.pc) about an axis approximately parallel to the radio and NIR emission lobes. By assuming virial equilibrium, we find that the molecular disk contains approximately 2000 solar mass. Single-component gas excitation model calculations show that the molecular gas in the disk is warmer and denser (T(sub k) approximately equals 60 K, n approximately equals 3000/cc) than the gas to the north and south (T(sub k) approximately equals 50 K, n approximately equals 400/cc). High resolution (approximately 5 sec) NH3 (3, 3) images of NGC 6334A reveal several small (approximately 0.1 pc) clumps, one of which lies southwest of the radio continuum shell, and is spatially coincident with a near-infrared source, IRS 20. A second NH3 clump is coincident with an H2O maser and the center of a molecular outflow. The dense gas tracers, CS J = 5 approaches 4 and 7 approaches 6, peak near IRS 20 and the H2O maser, not at NGC 6334A. IRS 20 has a substantial far-infrared (FIR) luminosity L(sub FIR) approximately 10(exp 5) solar luminosity, which indicates the presence of an O 7.5 star but has no detected radio continuum (F(sub 6 cm) < 0.02 Jy). The combination of dense gas, a large FIR luminosity and a lack of radio continuum can best be explained if IRS 20 is a protostar. A third clump of NH3 emission lies to the west of IRS 20 but is not associated with any other molecular or continuum features. The star formation activity in the region has moved west of NGC 6334A to IRS 20 and the H2O maser position. We suggest that NGC 6334A, IRS 20, and the H2O maser spot are part of a "protocluster" of stars which is condensing from the massive molecular disk. The similarity between the structure around NGC 6334A and other large (r approximately 1 pc), massive (M approximately 10(exp 3) solar mass), rotating disks (K3-50A and G10.6-0.4) suggests that this may be a common mechanism by which open clusters form.

Kraemer, Kathleen E.↗
DOE OSTI2022

Presentation of gas-phase-reactant-accessible single-rhodium-atom catalysts for CO oxidation, via MOF confinement of an Anderson polyoxometalate

Geometric or electronic confinement of guests within nanoporous hosts holds promise for imparting catalytic functionality, including single-metal-atom catalytic functionality, to existing materials. When the nanoporous host is a metal–organic framework (MOF), single-metal-ion catalysts have typically been installed by grafting to an open site on an inorganic node, with the node effectively becoming the support for the catalyst. This approach, however, imposes compositional constraints, as the node not only needs to be receptive to grafting, but also must be capable of stabilizing the framework against solvent evacuation, chemical exposure, and heating. Here, we show that disk-like, Anderson polyoxometalate clusters (RhMo 6 O 24 n- and Mo 7 O 24 m- ; POMs) can be confined in pore-specific and orientation-specific fashion within the hierarchically porous, Zr(IV)-based MOF, NU1K. Self-limiting loading of one cluster per pore, and associated nano-confinement, serve to isolate each POM and prevent consolidation caused by sintering. Additionally, the oriented confinement serves to expose individual rhodium atoms to candidate gas-phase reactants, while enabling the rhodium atom to employ a well-defined oxy-molybdenum cluster, rather than a MOF node, as a support. Synchrotron-based difference-electron-density maps and differential pair-distribution-function analyses of scattered X-rays establish cluster siting and orientation and confirm isolation. Nanoconfined (i.e., MOF- and POM-confined) single-rhodium(III)-atoms are catalytically competent for an illustrative gas-phase reaction, CO oxidation by O 2 , with the MOF-isolated POM enormously outperforming nonporous, MOF-free, solid (NH 4 ) 3 [H 6 RhMo 6 O 24 ]·6H 2 O. This paper highlights the value of MOF-based nano-confinement and oriented isolation of planar POMs as a means of uniformly presenting and stabilizing potent single-metal-atom catalysts, in reactant-accessible form, on well-defined supports.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Optical control of orbital magnetism in magic angle twisted bilayer graphene

Flat bands in graphene-based moiré structures host a wide range of emerging strongly correlated and topological phenomena. Optically probing and controlling them can reveal important information such as symmetry and dynamics, but have so far been challenging due to the small energy gap compared to optical wavelengths. Here, we report near infrared optical control of orbital magnetism and associated anomalous Hall effects (AHE) in a magic angle twisted bilayer graphene (MATBG) on monolayer WSe$_2$ device. We show that the properties of the AHE, such as hysteresis and amplitude, can be controlled by light near integer moiré fillings, where spontaneous ferromagnetism exists. By modulating the light helicity, we observe periodic modulation of the transverse resistance in a wide range of fillings, indicating light induced orbital magnetization through a large inverse Faraday effect. At the transition between metallic and AHE regimes, we also reveal large and random switching of the Hall resistivity, which are attributed to optical control of percolating cluster of magnetic domains. Our results open the door to optical manipulation of correlation and topology in MATBG and related structures.

FOS: Physical sciences↗
DOE OSTI2021

Non-perturbative geometries for planar $ \mathcal{N} $ = 4 SYM amplitudes

There is a remarkable well-known connection between the G(4, n) cluster algebra and n-particle amplitudes in $ \mathcal{N} $ = 4 SYM theory. For n ≥ 8 two long-standing open questions have been to find a mathematically natural way to identify a finite list of amplitude symbol letters from among the infinitely many cluster variables, and to find an explanation for certain algebraic functions, such as the square roots of four-mass-box type, that are expected to appear in symbols but are not cluster variables. In this letter we use the notion of “stringy canonical forms” to construct polytopal realizations of certain compactifications of (the positive part of) the configuration space Conf n (P k–1 ) ≅ G(k, n)/T that are manifestly finite for all k and n. Some facets of these polytopes are naturally associated to cluster variables, while others are naturally associated to algebraic functions constructed from Lusztig’s canonical basis. For (k, n) = (4, 8) the latter include precisely the expected square roots, revealing them to be related to certain “overpositive” functions of the kinematical invariants.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2014

Dynamic Airspace Configuration

In air traffic management systems, airspace is partitioned into regions in part to distribute the tasks associated with managing air traffic among different systems and people. These regions, as well as the systems and people allocated to each, are changed dynamically so that air traffic can be safely and efficiently managed. It is expected that new air traffic control systems will enable greater flexibility in how airspace is partitioned and how resources are allocated to airspace regions. In this talk, I will begin by providing an overview of some previous work and open questions in Dynamic Airspace Configuration research, which is concerned with how to partition airspace and assign resources to regions of airspace. For example, I will introduce airspace partitioning algorithms based on clustering, integer programming optimization, and computational geometry. I will conclude by discussing the development of a tablet-based tool that is intended to help air traffic controller supervisors configure airspace and controllers in current operations.

airspace↗
DOE OSTI2020

Photoluminescence, photophysics, and photochemistry of the V B - defect in hexagonal boron nitride

Extensive photochemical and spectroscopic properties of the V B - defect in hexagonal boron nitride are calculated, concluding that the observed photoemission associated with recently observed optically detected magnetic resonance is most likely of (1) 3 E'' → (1) 3 A' 2 origin. Rapid intersystem crossing from the defect's triplet to singlet manifolds explains the observed short excited-state lifetime and very low quantum yield. New experimental results reveal smaller intrinsic spectral bandwidths than previously recognized, interpreted in terms of spectral narrowing and zero-phonon-line shifting induced by the Jahn-Teller effect. Different types of computational methods are applied to map out the complex triplet and singlet defect manifolds, including the doubly ionized formulation of the equation-of-motion coupled-cluster theory that is designed to deal with the open-shell nature of defect states, and mixed quantum-mechanics/molecular-mechanics schemes enabling 5763-atom simulations. Finally, two other energetically feasible spectral assignments from among the singlet and triplet manifolds are considered, but ruled out based on inappropriate photochemical properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Variations in the Width, Density, and Direction of the Palomar 5 Tidal Tails

Stars that escape globular clusters form tidal tails that are predominantly shaped by the global distribution of mass in the Galaxy, but also preserve a historical record of small-scale perturbations. Using deep grz photometry from DECaLS, we present highly probable members of the tidal tails associated with the evaporating globular cluster Palomar 5. These data yield the cleanest view of a stellar stream beyond ≈20 kpc and reveal: (1) a wide, low surface-brightness extension of the leading tail; (2) significant density variations along the stream; and (3) sharp changes in the direction of both the leading and the trailing tail. In the fiducial Milky Way model, a rotating bar perturbs the Palomar 5 tails and can produce streams with similar width and density profiles to those observed. However, the deviations of the stream track in this simple model do not match those observed in the Palomar 5 trailing tail, indicating the need for an additional source of perturbation. These discoveries open up the possibility of measuring the population of perturbers in the Milky Way, including dark-matter subhalos, with an ensemble of stellar streams and deep photometry alone.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1999

Isotopic Constraints on the Genesis of Carbonates in Martian Meteorite ALH 84001

Oxygen isotopic analyses in approximately 20 micrometer spots in a chemically diverse suite of carbonates from ALH 84001 show highly variable delta(exp 18)O values from +5.4 to +25.3%. The isotopic data are correlated with the major element composition of the carbonate. The earliest forming (Ca-rich) carbonates have the lowest delta(exp 18)O values and the late-forming Mg-rich carbonates have the highest delta(exp 18)O values. Two models that can explain the isotopic variation were investigated. The carbonates could have formed in a water-rich environment at relatively low, but highly variable temperatures. In this open-system case the lower limit to the temperature variation is approximately 125 C, with fluctuations of over 250 C possible within the constraints of the model, depending on fluid composition. Alternatively the data can be explained by a closed-system model in which carbonates precipitated from a limited amount of a CO2-rich fluid. This scenario can reproduce the range of isotopic values observed, even at relatively high temperatures (greater than 500 C). Thus, the oxygen isotopic compositions do not provide unequivocal evidence for formation of the carbonates at low temperature. Neither of these scenarios is consistent with a biological origin of the carbonates and their associated features. Olivine from ALH 84001 occurs as clusters within orthopyroxene adjacent to fractures containing disrupted carbonate globules and feldspathic shock glass. The inclusions are irregular in shape and range in size from approximately 40 micrometers to submicrometer. The olivine exhibits a limited range of chemical composition from Fo(sub 65) to Fo(sub 66). We measured delta(exp 18)O values of the olivine to be +5.1 +/- 1.4%, indistinguishable within uncertainty from the host orthopyroxene. The data suggest that the olivine formed at high temperature (greater than 800 C), and is probably unrelated to carbonate formation. Instead the olivine probably formed by metamorphic reactions involving either dehydration of hydrous silicates or reduction of opx + spinel. If the reactions took place after carbonate formation, they could have caused devolatilization of siderite, producing the magnetite in the ALH carbonate globules. This scenario is also inconsistent with a biological origin for the features in ALH 84001.

Leshin, Laurie A.↗
DOE OSTI2020

Unravelling the mechanism of pressure induced polyamorphic transition in an inorganic molecular glass

The atomic structure of a germanium doped phosphorous selenide glass of composition Ge 2.8 P 57.7 Se 39.5 is determined as a function of pressure from ambient to 24 GPa using Monte-Carlo simulations constrained by high energy x-ray scattering data. The ambient pressure structure consists primarily of P 4 Se 3 molecules and planar edge shared phosphorus rings, reminiscent of those found in red phosphorous as well as a small fraction of locally clustered corner-sharing GeSe 4 tetrahedra. This low-density amorphous phase transforms into a high-density amorphous phase at ~6.3 GPa. The high-pressure phase is characterized by an extended network structure. The polyamorphic transformation between these two phases involves opening of the P 3 ring at the base of the P 4 Se 3 molecules and subsequent reaction with red phosphorus type moieties to produce a cross linked structure. The compression mechanism of the low-density phase involves increased molecular packing, whereas that of the high pressure phase involves an increase in the nearest-neighbor coordination number while the bond angle distributions broaden and shift to smaller angles. The entropy and volume changes associated with this polyamorphic transformation are positive and negative, respectively, and consequently the corresponding Clapeyron slope for this transition would be negative. This result has far reaching implications in our current understanding of the thermodynamics of polyamorphic transitions in glasses and glass-forming liquids.

42 ENGINEERING↗
DOE OSTI2022

Trumpler 16-26: a new centrifugal magnetosphere star discovered via SDSS/APOGEE H -band spectroscopy

ABSTRACT We report the discovery of a new example of the rare class of highly magnetized, rapidly rotating, helium enhanced, early B stars that produce anomalously wide hydrogen emission due to a centrifugal magnetosphere (CM). The star is Trumpler 16-26, a B1.5 V member of the Trumpler 16 open cluster. A CM was initially suspected based on hydrogen Brackett series emission observed in SDSS/APOGEE H-band spectra. Similar to the other stars of this type, the emission was highly variable and at all times remarkable due to the extreme velocity separations of the double peaks (up to 1300 km s−1.) Another clue lay in the TESS light curve, which shows two irregular eclipses per cycle when phased with the likely 0.971 8115-d rotation period, similar to the behaviour of the well-known CM host star σ Ori E. To confirm a strong magnetic field and rotation-phase-locked variability, we initiated a follow-up campaign consisting of optical spectropolarimetry and spectroscopy. The associated data revealed a longitudinal magnetic field varying between −3.1 and +1.6 kG with the period found from photometry. The optical spectra confirmed rapid rotation (v sin i = 195 km s−1), surface helium enhancement, and wide, variable hydrogen emission. Tr16-26 is thus confirmed as the 20th known, the fourth most rapidly rotating, and the faintest CM host star yet discovered. With a projected dipole magnetic field strength of Bd > 11 kG, Tr16-26 is also among the most magnetic CM stars.

79 ASTRONOMY AND ASTROPHYSICS↗