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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

The Hard X-Ray Sky: Recent Observational Progress

The last fifty years have witnessed the birth, development, and maturation to full potential of hard X-ray astrophysics. The primary force driving the history of the field has been the development of space-based instrumentation optimized for getting the maximum science out of observations of high-energy photons from astrophysical sources. Hard X-ray telescopes are leading research in areas such as galactic diffuse emission, galactic transients, and active galactic nuclei.

Gehrels, Neil↗
NASA NTRS1990

A computer model of the electrostatic positioning system

Positioning systems based upon electrstatic forces are being developed for the containerless processing of materials that cannot use acoustic or electromagnetic positioning techniques. Currently, electrode configurations for these electrostatic systems are designed on the basis of approximate analytical calculations and past experience. A three dimensional computer model is being developed that will predict the electrostatic fields and forces for a given electrode configuration and will allow for a more rapid evaluation of proposed designs. Early results of this model are presented.

Gutt, G. M.↗
DOE OSTI2025

Connecting relativistic density functional theory to microscopic calculations

The development of systematic effective field theories (EFTs) for nuclear forces and advances in solving the nuclear many-body problem have greatly improved our understanding of dense nuclear matter and the structure of finite nuclei. For global nuclear calculations, density functional theories (DFTs) have been developed to reduce the complexity and computational cost required in describing nuclear systems. However, DFT often makes approximations and assumptions about terms included in the functional, which may introduce systematic uncertainties compared to microscopic calculations using EFTs. In this work, we investigate possible avenues of improving nuclear DFT using nonlinear relativistic mean-field (RMF) theory. We explore the impact of RMF model extensions by fitting the nonlinear RMF model to predictions of nuclear matter and selected closed-shell nuclei using four successful chiral EFT Hamiltonians. We find that these model extensions are impactful and important in capturing the physics present within chiral Hamiltonians, particularly for charge radii and neutron skins of closed-shell nuclei. However, there are additional effects that are not captured within the RMF model, particularly within the isoscalar sector of RMF theory. Additional model extensions and the reliability of the nonlinear RMF model are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1985

Prediction of destabilizing blade tip forces for shrouded and unshrouded turbines

The effect of a nonuniform flow field on the Alford force calculation is investigated. The ideas used here are based on those developed by Horlock and Greitzer. It is shown that the nonuniformity of the flow field does contribute to the Alford force calculation. An attempt is also made to include the effect of whirl speed. The values predicted by the model are compared with those obtained experimentally by Urlicks and Wohlrab. The possibility of using existing turbine tip loss correlations to predict beta is also exploited. The nonuniform flow field induced by the tip clearnance variation tends to increase the resultant destabilizing force over and above what would be predicted on the basis of the local variation of efficiency. On the one hand, the pressure force due to the nonuniform inlet and exit pressure also plays a part even for unshrouded blades, and this counteracts the flow field effects, so that the simple Alford prediction remains a reasonable approximation. Once the efficiency variation with clearance is known, the presented model gives a slightly overpredicted, but reasonably accurate destabilizing force. In the absence of efficiency vs. clearance data, an empirical tip loss coefficient can be used to give a reasonable prediction of destabilizing force. To a first approximation, the whirl does have a damping effect, but only of small magnitude, and thus it can be ignored for some purposes.

Qiu, Y. J.↗
DOE OSTI2025

Iodine recombination in xenon solvent: Clusters in the gas to liquid-like state transition

Supercritical fluids (SCFs) have attracted significant attention as solvents for chemical reactions due to their unique properties, such as high diffusivity, low viscosity, and tunable solvation properties. These properties profoundly influence reaction kinetics and are often attributed to the formation of molecular clusters within SCFs. To study the effect of supercritical solvent on chemical reactivity and dynamics of reactions, one needs to understand the dynamics of clusters in supercritical fluid. Extensive experiments on the photodissociation and recombination of iodine in supercritical fluids served as a model system for understanding these effects. Experimental studies have been complemented by theoretical and computational investigations, which mostly employ Monte Carlo or empirical molecular dynamics simulations. However, computational studies using non-reactive force fields and ab initio approaches present challenges in capturing reactive processes at larger scales within supercritical fluids. Here, in this work, we developed the ReaxFF parameters by training against quantum mechanics data. ReaxFF reactive force field based molecular dynamics simulations were performed, studying the dynamics of a xenon solvent and cage effect at different thermodynamic conditions for the iodine recombination reaction. We show that the conditions near the critical point are the optimal conditions to study the cage effect. We show that the average lifetime of xenon clusters ranging between 5 and 11 ps is comparable to iodine geminate recombination. Our simulation results of iodine recombination in xenon solvent demonstrate the higher probability of iodine molecule formation in the presence of xenon clusters. Finally, we show that the supercritical condition exhibits the highest recombination rate for iodine atoms.

Cage effect↗
NASA NTRS1991

National launch system overview with focus on cargo transfer vehicle

As a result of the Augustine Committee's recommendation to the National Space Council, NASA, and the DOD have embarked on a joint program to provide the nation with a new capability for transporting payloads into space. The National Launch System (NLS) consists of a family of modular launch vehicles, combining elements of current launchers (Titan and Shuttle) with newly developed components. This family consists of (1) NLS-1 (a vehicle capable of delivering 80 k to SSF), (2) NLS-2 (a vehicle capable of delivering 50k to LEO), and (3) NLS-3 (a vehicle capable of delivering 20 k to LEO). Management of the program is shared between the two agencies with a Joint Program Office carrying out the level 2 management and integration function while both the NASA and Air Force field organizations are charged with the various development and operational responsibilities.

Buchanan, Harry↗
DOE OSTI2024

Theories of homogeneous and electrochemical electron transfer in complex media and interfaces (Final Technical Report)

This project makes the next step in establishing practical theories of charge transfer in complex media. The development of formal models is supported by extensive atomistic simulations, quantum calculations of force-field parameters, and direct measurements of charge-transfer spectra. All theory development is supported by experiment, extensive numerical simulations, and through external collaborations.

14 SOLAR ENERGY↗
NASA NTRS1997

Determination of Coronal Magnetic Fields from Vector Magnetograms

During the course of the present contract we developed an 'evolutionary technique' for the determination of force-free coronal magnetic fields from vector magnetograph observations. The method can successfully generate nonlinear force- free fields (with non-constant-a) that match vector magnetograms. We demonstrated that it is possible to determine coronal magnetic fields from photospheric measurements, and we applied it to vector magnetograms of active regions. We have also studied theoretical models of coronal fields that lead to disruptions. Specifically, we have demonstrated that the determination of force-free fields from exact boundary data is a well-posed mathematical problem, by verifying that the computed coronal field agrees with an analytic force-free field when boundary data for the analytic field are used; demonstrated that it is possible to determine active-region coronal magnetic fields from photospheric measurements, by computing the coronal field above active region 5747 on 20 October 1989, AR6919 on 15 November 1991, and AR7260 on 18 August 1992, from data taken with the Stokes Polarimeter at Mees Solar Observatory, University of Hawaii; started to analyze active region 7201 on 19 June 1992 using measurements made with the Advanced Stokes Polarimeter at NSO/Sac Peak; investigated the effects of imperfections in the photospheric data on the computed coronal magnetic field; documented the coronal field structure of AR5747 and compared it to the morphology of footpoint emission in a flare, showing that the 'high- pressure' H-alpha footpoints are connected by coronal field lines; shown that the variation of magnetic field strength along current-carrying field lines is significantly different from the variation in a potential field, and that the resulting near-constant area of elementary flux tubes is consistent with observations; begun to develop realistic models of coronal fields which can be used to study flare trigger mechanisms; demonstrated that magnetic nonequilibrium can disrupt sheared coronal arcades, and that helmet streamers can disrupt, leading to coronal mass ejections. Our model has significantly extended the realism with which the coronal magnetic field can be inferred from actual observations. In a subsequent contract awarded by NASA, we have continued to apply and improve the evolutionary technique, to study the physical properties of active regions, and to develop theoretical models of magnetic fields.

Mikic, Zoran↗
DOE OSTI2024

A transferable classical force field to describe glyme based lithium solvate ionic liquids

A non-polarizable force field for lithium (Li + ) and bis(trifluoromethanesulfonyl)imide (TFSI – ) ions solvated in diglyme at around 0.2 mol fraction salt concentration was developed based on ab initio molecular dynamics (AIMD) simulations and a modified polymer consistent force field model. A force–torque matching based scheme, in conjunction with a genetic algorithm, was used to determine the Lennard-Jones (LJ) parameters of the ion–ion and ion–solvent interactions. This force field includes a partial charge scaling factor and a scaling factor for the 1–4 interactions. The resulting force field successfully reproduces the radial distribution function of the AIMD simulations and shows better agreement compared to the unmodified force field. The new force field was then used to simulate salt solutions with glymes of increasing chain lengths and different salt concentrations. The comparison of the MD simulations, using the new force field, with experimental data at different salt concentrations and AIMD simulations on equimolar concentrations of the triglyme system demonstrates the transferability of the force field parameters to longer glymes and higher salt concentrations. Furthermore, the force field appears to reproduce the features of the experimental x-ray structure factors, suggesting accuracy beyond the first solvation shell, for equimolar salt solutions using both triglyme and tetraglyme as the solvent. Altogether, the new force field was found to accurately reproduce the molecular descriptions of LiTFSI-glyme systems not only at various salt concentrations but also with glymes of different chain lengths. Thus, the new force field provides a useful and accurate tool to perform in silico studies of this family of systems at the atomistic level.

25 ENERGY STORAGE↗
DOE OSTI2020

Enhanced liquid metal wetting on oxide surfaces via patterned particles

Liquid metals typically do not intrinsically wet oxide surfaces due to chemical dissimilarity, preventing the formation of well-bonded interfaces in many applications. This paper investigates how the wetting and spreading of liquid silver (Ag) droplets on oxide surfaces can be enhanced via patterned nickel (Ni) particles using multiscale modeling. First, a force field (FF) for an Ag/yttria-stabilized-zirconia system was developed by fitting the interfacial binding energy to density-functional theory (DFT) calculations. Then, molecular dynamics (MD) simulations using these FF parameters revealed that the good wetting of Ag on Ni caused Ag droplets to be attracted to the Ni particles, promoting spreading. Thus, the optimal hexagonal Ni pattern was shown to enhance the wetting area by 224% compared to a bare oxide surface. Second, an analytical model predicting the maximum possible enhancement in wetting area as a function of the intrinsic wetting angle, size of the Ag droplet, and size of the Ni particles was derived and validated with MD simulations, to generalize this method to other substrates. Here, both the analytical model and MD results suggested that the ability of Ni patterns to enhance the Ag wetting area becomes more significant as the wettability of substrate becomes worse.

36 MATERIALS SCIENCE↗
NASA NTRS1985

Gravity, geoid and the oceanic lithosphere

Plate tectonics and its contribution to progress in studies of the Earth's gravitational field is discussed. In acquisition, the development of forced feedback accelerometers, satellite navigation, and satellite radar altimetry significantly improved the accuracy and coverage of gravity data over the oceans. In interpretation, gravity and geoid anomalies are used to determine information on the thermal and mechanical properties of the oceanic lithosphere and the forces that drive plate motions.

Watts, A. B.↗
NASA NTRS1973

A New GaAs Laser Radar for Atmospheric Measurements

A special GaAs lidar using fiber coupled diode lasers was constructed for the purpose of measuring the extinction coefficient distribution within a large atmospheric volume at a rate compatible with atmospheric kinematics. The technique is based on taking backscatter signature ratios over spatial increments after the returns are normalized by pulse integration. Essential aspects of the lidar design are beam pulse power, repetition rate, detection system dynamic range and decay linearity. It was necessary to preclude the possibility of eye hazard under any operating conditions, including directly viewing the emitting aperture at close distance with a night-adapted eye. The electronic signal processing and control circuits were built to allow versatile operations. Extinction coefficient measurements were made in fog and clouds using a low-power laboratory version of the lidar, demonstrating feasibility. Data are presented showing range squared corrected backscatter profiles converted to extinction coefficient profiles, temporal signal fluctuations, and solar induced background noise. These results aided in the design of the lidar which is described. Functional tests of this lidar and the implications relevant to the design of a prototype model are discussed. This work was jointly sponsored by Sperry Rand Corporation under its Independent Research and Development program; the Air Force Avionics Laboratory, Wright Field, Dayton, Ohio; and the Naval Ammunition Depot, Crane, Indiana.

Brown, R. T.↗
DOE OSTI2020

Recent Progress in Nuclear Lattice Simulations

We review several recent results on lattice simulations by the Nuclear Lattice Effective Field Theory Collaboration. In the first part we discuss the implementation of nuclear forces on the lattice using chiral effective field theory. The new development we highlight is the use of non-local lattice operators to achieve a simpler spin channel decomposition, in contrast with previous studies that considered only local interactions. In the second part, we present evidence that nuclear physics is close to a quantum phase transition. This development is also linked to the study of the differences between local and non-local interactions. In the final part we further explore the link between the nuclear forces and nuclear structure. We consider the simplest possible nuclear interaction which can accurately reproduce the ground state energies of neutron matter, light nuclei, and medium-mass nuclei. We discuss what these recent developments say about the emergence of nuclear structure from nuclear forces and the road ahead for nuclear lattice simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRSDate not supplied

Analysis of Transonic Unsteady Aerodynamic Environments using Unsteady Pressure Sensitive Paint for the Space Launch System Block 1 Cargo Launch Vehicle

Predicting launch vehicle unsteady aerodynamic loads due to buffet remains a significant challenge. Current practices for modeling buffet environments involve the development of buffet forcing functions using unsteady pressure measurements acquired during wind-tunnel tests. These practices often result in significant uncertainty in buffet environments for coupled loads analyses due to the complex spatio-temporal nature of the unsteady pressure field and challenge of its estimation using discrete sensors. Unsteady pressure sensitive paint, on the other hand, can provide unsteady pressure data at a comparatively high-spatial-density and may overcome the challenge of unsteady pressure field estimation with discrete sensors and lead to improvements in the development of buffet forcing functions. In this paper, comparisons of the fluctuating pressure field are made for the Space Launch System Block 1 cargo launch vehicle measured using unsteady pressure sensitive paint and pressure transducers.

buffet↗
DOE OSTI2022

The Equation of State of Neutron-Rich Matter at Fourth Order of Chiral Effective Field Theory and the Radius of a Medium-Mass Neutron Star

We report neutron star predictions based on our most recent equations of state. These are derived from chiral effective field theory, which allows for a systematic development of nuclear forces, order by order. We utilize high-quality two-nucleon interactions and include all three-nucleon forces up to fourth order in the chiral expansion. Our ab initio predictions are restricted to the domain of applicability of chiral effective field theory. However, stellar matter in the interior of neutron stars can be up to several times denser than normal nuclear matter at saturation, and its composition is essentially unknown. Following established practices, we extend our microscopic predictions to higher densities matching piecewise polytropes. The radius of the average-size neutron star, about 1.4 solar masses, is sensitive to the pressure at normal densities, and thus it is suitable to constrain ab initio theories of the equation of state. For this reason, we focus on the radius of medium-mass stars. We compare our results with other theoretical predictions and recent constraints.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

Analysis of Transonic Unsteady Aerodynamic Environments using Unsteady Pressure Sensitive Paint for the Space Launch System Block 1 Cargo Launch Vehicle

Predicting launch vehicle unsteady aerodynamic loads due to buffet remains a significant challenge. Current practices for modeling buffet environments involve the development of buffet forcing functions using discrete unsteady pressure measurements acquired during wind-tunnel tests. These practices often result in significant uncertainty in buffet environments for coupled loads analyses due to the complex spatio-temporal nature of the unsteady pressure field and the challenge of its estimation using discrete sensors. Unsteady pressure sensitive paint, on the other hand, can provide unsteady pressure data at a comparatively high spatial density and may overcome the challenge of unsteady pressure field estimation with discrete sensors and lead to improvements in the development of buffet forcing functions. In this paper, comparisons of the fluctuating pressure field are made for the Space Launch System Block 1 cargo launch vehicle measured using unsteady pressure sensitive paint and pressure transducers.

buffet↗
NASA NTRSDate not supplied

Analysis of Transonic Unsteady Aerodynamic Environments using Unsteady Pressure Sensitive Paint for the Space Launch System Block 1 Cargo Launch Vehicle

Predicting launch vehicle unsteady aerodynamic loads due to buffet remains a significant challenge. Current practices for modeling buffet environments involve the development of buffet forcing functions using discrete unsteady pressure measurements acquired during wind-tunnel tests. These practices often result in significant uncertainty in buffet environments for coupled loads analyses due to the complex spatio-temporal nature of the unsteady pressure field and the challenge of its estimation using discrete sensors. Unsteady pressure sensitive paint, on the other hand, can provide unsteady pressure data at a comparatively high spatial density and may overcome the challenge of unsteady pressure field estimation with discrete sensors and lead to improvements in the development of buffet forcing functions. In this paper, comparisons of the fluctuating pressure field are made for the Space Launch System Block 1 cargo launch vehicle measured using unsteady pressure sensitive paint and pressure transducers.

buffet↗
DOE OSTI2020

Active learning for robust, high-complexity reactive atomistic simulations

Machine learned reactive force fields based on polynomial expansions have been shown to be highly effective for describing simulations involving reactive materials. Nevertheless, the highly flexible nature of these models can give rise to a large number of candidate parameters for complicated systems. In these cases, reliable parameterization requires a well-formed training set, which can be difficult to achieve through standard iterative fitting methods. In this paper, we present an active learning approach based on cluster analysis and inspired by Shannon information theory to enable semi-automated generation of informative training sets and robust machine learned force fields. The use of this tool is demonstrated for development of a model based on linear combinations of Chebyshev polynomials explicitly describing up to four-body interactions, for a chemically and structurally diverse system of C/O under extreme conditions. We show that this flexible training database management approach enables development of models exhibiting excellent agreement with Kohn–Sham density functional theory in terms of structure, dynamics, and speciation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗