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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 NTRS2011

The Dawn Gravity Investigation at Vesta and Ceres

The objective of the Dawn gravity investigation is to use high precision X-band Doppler tracking and landmark tracking from optical images to measure the gravity fields of Vesta and Ceres to a half-wavelength surface resolution better than 90-km and 300-km, respectively. Depending on the Doppler tracking assumptions, the gravity field will be determined to somewhere between harmonic degrees 15 and 25 for Vesta and about degree 10 for Ceres. The gravity fields together with shape models determined from Dawn's framing camera constrain models of the interior from the core to the crust. The gravity field is determined jointly with the spin pole location. The second degree harmonics together with assumptions on obliquity or hydrostatic equilibrium may determine the moments of inertia.

Vesta↗
DOE OSTI2025

Multistage nucleation pathway in LiF molten salt mirrors the crystal–melt interface structure

Despite over a century of studies, fundamental questions remain about the processes governing crystal nucleation from melts or solutions. Research over the past three decades has presented mounting evidence for kinetic pathways of crystal nucleation that are more complex than envisioned by the simplest forms of classical theory. Such observations have been presented for colloidal and elemental systems with covalent and metallic bonding. Despite the technological and geochemical importance of molten salts, similar studies for these ionically bonded systems are currently lacking. Here we develop a machine learning interatomic potential for a model ionic system: LiF. The potential features quantum-level accuracy for both liquid and multiple solid polymorphs over wide temperature and pressure ranges and accurately reproduces experimentally measured properties. Thanks to the efficiency of the potential, which enables microsecond-scale molecular dynamics simulations, induction times for nucleation of LiF solids from their melts are computed over a range of undercoolings. With the aid of a set of robust local order parameters established here, the simulations reveal that homogeneous crystal nucleation in undercooled melts preferentially initiates from liquid regions showing slow dynamics and high bond orientational order simultaneously, and the second-shell order of both precritical nuclei and the surface of postcritical nuclei is dominated by hexagonal close packing and body-centered cubic local structure, even though the nucleus core is dominated by face-centered cubic structure corresponding to the stable rocksalt crystal structure. Finally, we establish a connection between the crystallization pathway and the equilibrium crystal-melt interface structure.

Applied Physical Sciences↗
DOE OSTI2026

Validation of an integrated modeling framework for investigating 3D plasma responses in tokamak plasmas

As contemporary experimental tokamaks are pushed toward reactor-relevant operation, they provide essential testbeds for demonstrating and exploring ELM control strategies for deployment in future fusion pilot plants. Accurate predictions of full plasma responses are essential to guide and optimize these demonstrations. This paper introduces and validates an integrated modeling framework over a historical range of DIII-D operational space. The integrated modeling framework uses only scalar plasma parameters and optional reference boundary to self-consistently and flexibly scan through tokamak operational space and estimate the corresponding ELM-suppression relevant plasma response over 3D coil phase space. The framework generates tightly converged equilibria that satisfy a target set of plasma parameters (I p , β N , l i ), with kinetic profiles constrained by an EPED(NN)-computed pedestal and empirical core model. The plasma response of these modeled equilibria is calculated with GPEC. Validated against 55 distinct DIII-D equilibria, the framework consistently reproduces experimentally constrained equilibrium pressure, q, and other representative profiles using the time-varying information from only evolving scalar plasma parameters; plasma response validation is performed for the n=3 perturbation. In particular, the plasma response of a DIII-D discharge scanning q 95 in search of ELM suppression windows is quantitatively reproduced. By accurately reproducing experimental equilibria and plasma responses across wide parameter variation, the framework supports potential for synthetic parameter scans in key operational, stability, and plasma response dimensions to investigate RMP ELM-suppression experiments and inform predictive RMP scenario optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1987

A central black hole in M32

Observations are presented of the stellar rotation and velocity dispersion in M32. The projected rotation curve has an unresolved cusp at the center, with an amplitude of at least 60 km/s. The stellar velocity dispersion is constant at 56 + or - 5 km/s to a radius of 20 arcsec; a central bump in the observed dispersion is an artifact due to the rotation. The form of the rotation is such that isophotes have constant angular rotation velocity. The three-dimensional rotation field is modeled and the internal mean rotation of the stars around the center of M32 must reach at least 90 km/s at a radius of 2 pc. Hydrostatic equilibrium then requires 3-10 x 10 to the 6th solar masses of dark mass within the central parsec of M32. The possibility that M32 is undergoing core collapse and that this dark mass consists of dark stellar remnants is discussed, but ultimately rejected because the time scale for core collapse of M32 should be 2000 Hubble times. A more likely explanation of this dark mass, especially because of the presence of an X-ray point source at the center of M32, is a massive black hole.

Tonry, John L.↗
NASA NTRS2015

Water in the Lithospheric Mantle Beneath a Phanerozoic Continental Belt: FTIR Analyses of Alligator Lake Xenoliths (Yukon, Canada)

Water in the mantle influences melting, metasomatism, viscosity and electrical conductivity. The Alligator Lake mantle xenolith suite is one of three bimodal peridotite suites from the northern Canadian Cordillera brought to the surface by alkali basalts, i.e., it consists of chemically distinct lherzolites and harzburgites. The lherzolites have equilibration temperatures about 50 C lower than the harzburgites and are thought to represent the fertile upper mantle of the region. The harzburgites might have come from slightly deeper in the mantle and/or be the result of a melting event above an asthenospheric upwelling detected as a seismic anomaly at 400-500 km depth. Major and trace element data are best interpreted as the lherzolite mantle having simultaneously experienced 20-25% partial melting and a metasomatic event to create the harzburgites. Well-characterized xenoliths are being analyzed for water by FTIR. Harzburgites contain 29-52 ppm H2O in orthopyroxene (opx) and (is) approximately140 ppm H2O in clinopyroxene (cpx). The lherzolites have H2O contents of 27-150 ppm in opx and 46-361 ppm in cpx. Despite correlating with enrichments in LREE, the water contents of the harzburgite pyroxenes are low relative to those of typical peridotite xenoliths, suggesting that the metasomatic agents were water-poor, contrarily to what has been suggested before. The water content of cpx is about double that of opx indicating equilibrium. Olivine water contents are low ((is) less than 5 ppm H2O) and out of equilibrium with those of opx and cpx, which may be due to H loss during xenolith ascent. This is consistent with olivines containing more water in their cores than their rims. Olivines exclusively exhibit water bands in the 3400-3000 cm-1 range, which may be indicative of a reduced environment.

Gelber, McKensie↗
DOE OSTI2025

Dislocation nano-hydrides in nickel: Nucleation, evolution and effects on dislocation behaviors

Nano-hydrides have been predicted to precipitate at the core of edge dislocations in the Ni-H system, a mechanism that may promote hydrogen embrittlement. However, nano-hydride nucleation, growth, and effects on dislocation behavior have seldom been explored. This work combines molecular dynamics grand canonical Monte Carlo (MD-GCMC) simulations and continuum modeling to uncover a wide range of phenomena linked to dislocation nano-hydrides. Simulations reveal that nano-hydrides can be stabilized at dislocation cores with all character angles, including screw segments, due to the hydrostatic stresses around the cores of the Shockley partials. Nano-hydride nucleation takes place in these regions, and growth is dictated by the character angle θ of the perfect dislocation. The equilibrium stacking fault width d eq varies dynamically to increase the local hydrostatic stress field and facilitate the formation of the nano-hydride, forming a constriction-like feature and leading to three distinct behaviors: d eq decreases for θ > 30°, d eq remains unchanged for θ = 30°, and d eq increases for θ < 30°. Remote hydrostatic and Escaig stresses are also shown to influence the nucleation stage, implying stress concentrations such as those ahead of crack tips may facilitate nano-hydride precipitation. Moreover, we identify a new hydrogen-induced 60° dislocation reaction that emits a Shockley partial on a conjugate plane, with potential implications for twin nucleation. Testable predictions from this study are then used to reinterpret previous results from the literature. In conclusion, these findings provide a comprehensive framework to assess nano-hydride formation and evolution at dislocations in nickel and other face-centered cubic metals, with important implications to hydrogen embrittlement.

Dislocations↗
DOE OSTI2024

IDAES-PSE 2.7.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.7.0 Release Highlights New features: AutoScaler and CustomScalerBase classes: Such tools are the core of the new scaling framework being implemented in IDAES. Wider adoption of scaling tools among users will result in quicker and more robust model solutions. Scaler for equilibrium reactor and saponification properties: These scaler models are examples to follow for how to use the new scaling tools. ONNX Surrogate support from Optimization & Machine Learning Toolkit (OMLT): ONNX is an open standard format to save and load ML/AI models that is widely supported by all major frameworks. This capability makes it easier for IDAES users to create surrogate models and use them without having to support each framework individually. 1D Membrane Model for CO2 Capture and Utilization: Supports ongoing efforts for modeling and optimizing polymer membrane processes for CO2 capture and conversion into formic acid. StreamScaler unit model: Unrelated to the CustomScalerBase, this unit model allows a stream’s extensive variables to be scaled by a fixed factor. This allows streams being processed by multiple units in parallel to be scaled down to unit scale and scaled back up to process scale. Bug fixes or improvements: Scaling, EoS, Diagnostics tool, Modular Properties, tests & documentation Deprecations: Old Cubic EoS

AS↗
NASA NTRS1995

An Accurate ab initio Quartic Force Field and Vibrational Frequencies for CH4 and Isotopomers

A very accurate ab initio quartic force field for CH4 and its isotopomers is presented. The quartic force field was determined with the singles and doubles coupled-cluster procedure that includes a quasiperturbative estimate of the effects of connected triple excitations, CCSD(T), using the correlation consistent polarized valence triple zeta, cc-pVTZ, basis set. Improved quadratic force constants were evaluated with the correlation consistent polarized valence quadruple zeta, cc-pVQZ, basis set. Fundamental vibrational frequencies are determined using second-order perturbation theory anharmonic analyses. All fundamentals of CH4 and isotopomers for which accurate experimental values exist and for which there is not a large Fermi resonance, are predicted to within +/- 6 cm(exp -1). It is thus concluded that our predictions for the harmonic frequencies and the anharmonic constants are the most accurate estimates available. It is also shown that using cubic and quartic force constants determined with the correlation consistent polarized double zeta, cc-pVDZ, basis set in conjunction with the cc-pVQZ quadratic force constants and equilibrium geometry leads to accurate predictions for the fundamental vibrational frequencies of methane, suggesting that this approach may be a viable alternative for larger molecules. Using CCSD(T), core correlation is found to reduce the CH4 r(e), by 0.0015 A. Our best estimate for r, is 1.0862 +/- 0.0005 A.

Lee, Timothy J.↗
NASA NTRS2007

Partitioning of Pd Between Fe-S-C and Mantle Liquids at High Pressure and Temperature: Implications for Core Formation

One of the most elusive geochemical aspects of the early Earth has been explaining the near chondritic relative abundances of the highly siderophile elements (HSE; Au, Re and the platinum group elements) in Earth's primitive upper mantle (PUM). Perhaps they were delivered to the Earth after core formation, by late addition of carbonaceous chondrite material. However, the recognition that many moderately siderophile elements can be explained by high pressure and temperature (PT) metal-silicate equilibrium, leads to the question whether high PT equilibrium can also explain the HSE concentrations. Answers to this question have been slowed by experimental difficulties (nugget effect and very low solubilities). But two different perspectives have emerged from recent studies. One perspective is that D(M/S) for HSE at high PT are not low enough to explain terrestrial mantle depletions of these elements (for Pd and Pt). A second perspective is D(M/S) are reduced substantially at high PT and even low enough to explain terrestrial mantle depletions (for Au and Pt). Issues complicating interpretation of all experiments include use of MgO- and FeO-free silicate melts, and S-free and FeNi metal-free systems. In addition, conclusions for Pt rest on an interpretation that the tiny metallic nuggets plaguing many such experiments, were formed upon quench. There is not agreement on this issue, and the general question of HSE solubility at high PT remains unresolved

Righter, K.↗
NASA NTRS2015

Open-Source Conceptual Sizing Models for the Hyperloop Passenger Pod

Hyperloop is a new mode of transportation proposed as an alternative to California's high speed rail project, with the intended benefits of higher performance at lower overall costs. It consists of a passenger pod traveling through a tube under a light vacuum and suspended on air bearings. The pod travels up to transonic speeds resulting in a 35 minute travel time between the intended route from Los Angeles and San Francisco. Of the two variants outlined, the smaller system includes a 1.1 meter tall passenger capsule traveling through a 2.2 meter tube at 700 miles per hour. The passenger pod features water-based heat exchangers as well as an on-board compression system that reduces the aerodynamic drag as it moves through the tube. Although the original proposal looks very promising, it assumes that tube and pod dimensions are independently sizable without fully acknowledging the constraints of the compressor system on the pod geometry. This work focuses on the aerodynamic and thermodynamic interactions between the two largest systems; the tube and the pod. Using open-source toolsets, a new sizing method is developed based on one-dimensional thermodynamic relationships that accounts for the strong interactions between these sub-systems. These additional considerations require a tube nearly twice the size originally considered and limit the maximum pod travel speed to about 620 miles per hour. Although the results indicate that Hyperloop will need to be larger and slightly slower than originally intended, the estimated travel time only increases by approximately five minutes, so the overall performance is not dramatically affected. In addition, the proposed on-board heat exchanger is not an ideal solution to achieve reasonable equilibrium air temperatures within the tube. Removal of this subsystem represents a potential reduction in weight, energy requirements and complexity of the pod. In light of these finding, the core concept still remains a compelling possibility, although additional engineering and economic analyses are markedly necessary before a more complete design can be developed.

design analysis↗
NASA NTRS1981

Quantum chemical calculation of the equilibrium structures of small metal atom clusters

The application of ab initio quantum mechanical approaches in the study of metal atom clusters requires simplifying techniques that do not compromise the reliability of the calculations. Various aspects of the implementation of the effective core potential (ECP) technique for the removal of the metal atom core electrons from the calculation were examined. The ECP molecular integral formulae were modified to bring out the shell characteristics as a first step towards fulfilling the increasing need to speed up the computation of the ECP integrals. Work on the relationships among the derivatives of the molecular integrals that extends some of the techniques pioneered by Komornicki for the calculation of the gradients of the electronic energy was completed and a formulation of the ECP approach that quite naturally unifies the various state-of-the-art "shape- and Hamiltonian-consistent" techniques was discovered.

Kahn, L. R.↗
NASA NTRS2016

An Iron-Rain Model for Core Formation on Asteroid 4 Vesta

Asteroid 4 Vesta is differentiated into a crust, mantle, and core, as demonstrated by studies of the eucrite and diogenite meteorites and by data from NASA's Dawn spacecraft. Most models for the differentiation and thermal evolution of Vesta assume that the metal phase completely melts within 20 degrees of the eutectic temperature, well before the onset of silicate melting. In such a model, core formation initially happens by Darcy flow, but this is an inefficient process for liquid metal and solid silicate. However, the likely chemical composition of Vesta, similar to H chondrites with perhaps some CM or CV chondrite, has 13-16 weight percent S. For such compositions, metal-sulfide melting will not be complete until a temperature of at least 1350 degrees Centigrade. The silicate solidus for Vesta's composition is between 1100 and 1150 degrees Centigrade, and thus metal and silicate melting must have substantially overlapped in time on Vesta. In this chemically and physically more likely view of Vesta's evolution, metal sulfide drops will sink by Stokes flow through the partially molten silicate magma ocean in a process that can be envisioned as "iron rain". Measurements of eucrites show that moderately siderophile elements such as Ni, Mo, and W reached chemical equilibrium between the metal and silicate phases, which is an important test for any Vesta differentiation model. The equilibration time is a function of the initial metal grain size, which we take to be 25-45 microns based on recent measurements of H6 chondrites. For these sizes and reasonable silicate magma viscosities, equilibration occurs after a fall distance of just a few meters through the magma ocean. Although metal drops may grow in size by merger with other drops, which increases their settling velocities and decreases the total core formation time, the short equilibration distance ensures that the moderately siderophile elements will reach chemical equilibrium between metal and silicate before metal drop merger becomes important. In this model, there must be at least 30 percent melting of the silicate phase when metal melting is complete, corresponding to a crust thickness of at least 30 kilometers on Vesta, consistent with Dawn gravity observations. Greater degrees of silicate melting and a correspondingly thicker crust are possible if Vesta accreted sufficiently rapidly.

Kiefer, Walter S.↗
NASA NTRS1983

Thermoregulation in Erythrocebus patas - A thermal balance study

The ability of nonacclimated patas monkeys (Erythrocebus patas) to maintain a constant core temperature at six ambient temperatures from 15 to 40 C is investigated experimentally in 3 male and 3 female animals weighing 3.9-6.0 kg. The monkeys were permitted to reach equilibrium at the test Ta for at least 2 h before O2-uptake, CO2 output, weighted skin temperature (Tsk), rectal temperature (Tre), respiratory evaporative water loss (Eresp) and total evaporative water loss (Etot) were measured for 30 min. The results are presented in tables and graphs. Tsk is found to vary (from about 30.7 to about 37.2 C) with Ta, while Tre increases only from 37.6 to 38.4 C; Etot increases from about 9 to about 76 W/sq m, mainly due to eccrine sweating. Total body conductance, Tsk, and Tre are shown to be lower (the conductance significantly) at 40 C than those of rhesus monkeys. It is suggested that the enhanced heat tolerance of E. patas makes this species an appropriate subject for further studies of primate temperature regulation.

Kolka, M. A.↗
NASA NTRS1993

Strongly coupled radiative transfer and Joule heating in the cathode of an arc heater

Radiation and Joule heating in the electrode region of an arc heater are discussed. Radiative transport equations for a true axisymmetric geometry are used. A subsonic code is developed to numerically solve the fluid equations with strongly coupled radiation and Joule heating representative of a high pressure and high current arc heater. Analytic expression for the divergence of radiative heat flux derived previously is used. Jacobians of the radiation term are derived. The Joule heating term is computed using a previously developed code. The equilibrium gas model consists of seven species. The fluxes are differenced using Van Leer flux splitting. Using this code, the effects of radiative cooling on the thermodynamic parameters of the arc core are discussed.

Durgapal, P.↗
NASA NTRS1984

183 GHz water line variation: An energetic outburst in orion KL

Observations of the 3(13)-2(20) transition of water vapor in the direction of Ori MC1 in 1980 February show a 50% flux increase and an apparent additional red shift of approximately 2 km/s relative to the line observed in 1977 December. From a detailed examination of the amplitude and frequency calibration, it appears unlikely that the effect is due to systematic error. The increase is attributed to the appearance of a new component at a velocity of 12 km/s with respect to the local standard of rest. The new component also has broad wings. Increased emission from a region in the high-velocity core of Ori MC1 can be due either to additional far-IR radiation to pump the 1983 GHz transition or to a change in the physical conditions in the gas. Statistical equilibrium calculations using the large-velocity-gradient formalism were carried out to develop a model for the emission. The calculations support a model in which the gas in the region of enhanced emission is hotter than the dust. The temporal coincidence between the 183 GHZ increase and the 22 GH1 water maser outburst suggests a common, impulsive cause, which has heated the gas in a part of the HV source, enhancing the emission in both transitions.

Kuiper, T. B. H.↗
NASA NTRS1984

183 GHz water line variation - An energetic outburst in Orion KL

Observations of the 3(13)-2(20) transition of water vapor in the direction of Ori MC1 in 1980 February show a 50 percent flux increase and an apparent additional red shift of approximately 2 km/s relative to the line observed in 1977 December. From a detailed examination of the amplitude and frequency calibration, it appears unlikely that the effect is due to systematic error. The increase is attributed to the appearance of a new component at a velocity of 12 km/s with respect to the local standard of rest. The new component also has broad wings. Increased emission from a region in the high-velocity core of Ori MC1 can be due either to additional far-IR radiation to pump the 1983 GHz transition or to a change in the physical conditions in the gas. Statistical equilibrium calculations using the large-velocity-gradient formalism were carried out to develop a model for the emission. The calculations support a model in which the gas in the region of enhanced emission is hotter than the dust. The temporal coincidence between the 183 GHz increase and the 22 GH1 water maser outburst suggests a common, impulsive cause, which has heated the gas in a part of the HV source, enhancing the emission in both transitions.

Kuiper, T. B. H.↗
NASA NTRS1996

Interferometric Radar Observations of Glaciar San Rafael, Chile

Interferometric radar observations of Glaciar San Rafael, Chile, were collected in October 1994 by NASA's Spaceborne Imaging Radar C (SIR-C) at both L- (24cm) and C-band frequency (5.6cm), with vertical transmit and receive polarization. The C-band data did not yield good geophysical products, because the temporal coherence of the signal was significantly reduced after 24h. The L-band data were, however, successfully employed to map the surface topography of the icefield with a 10m uncertainty in height, and measure ice velocity with a precision of 4 mm/d or 1.4 m/a. The corresponding error in strain rates is 0.05/a at a 30 m horizontal spacing. The one-dimensional interferometric velocities were subsequently converted to horizontal displacements by assuming a flow direction and complemented by feature-tracking results near the calving front. The results provide a comprehensive view of the ice-flow dynamics of Glaciar San Rafael. The glacier has a core of rapid flow, 4.5 km in width and 3.5 degrees in average slope,surrounded by slower moving ice, not by rock. Ice velocity is 2.6 m/d or 0.95 km/a near the equilibrium line altitude (1200m), increasing rapidly before the glacier enters the narrower terminal valley, to reach 17.5 m/d or 6.4 km/a at the calving front. Strain rates are dominated by lateral shearing at the glacier margins (0.4-0.7/a), except for the terminal-valley section, where longitudinal strain rates average close to 1/a. This spectacular longitudinal increase in ice velocity in the last few kilometers may be a fundamental feature of tidewater glaciers.

Rignot, Eric↗
NASA NTRS2015

Majorite-Garnet Partitioning of the Highly Siderophile Elements: New Results and Application to Mars

HSE and Os isotopes are used to constrain processes such as accretion, mantle evolution, crustal recycling, and core-mantle mixing, and to constrain the timing and depth of differentiation of Mars. Although showed that the HSE contents of the martian mantle could have been established by metal-silicate equilibrium in early Mars, the role of a cooling magma ocean and associated crystallization in further fractionating the HSEs is unclear. Garnet is thought to have played an important role in controlling trace element concentrations in the martian mantle reservoirs. However, testing these models, including Os isotopes, has been hindered by a dearth of partitioning data for the HSE in deep mantle phases - majorite, wadsleyite, ringwoodite, akimotoite - that may be present in the martian mantle. We examine the partitioning behavior of HSEs between majorite garnet (gt), olivine (oliv), and silicate liquid (melt).

Danielson, L. R.↗