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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

Physics and Chemistry of Te and HgTe-based Ternary Melts

Historically, the theoretical treatment of the liquid phases has always been more difficult and complicated than that for solid and gas phases. A liquid has no lattice structure as crystalline solids and the atoms/molecules in the liquid can migrate through it relatively rapidly. On the other hand, it is also interacting with many other atoms/molecules so that the simplifications of the kinetic theory of gases cannot be employed. For more complicated liquids, such as the liquids of high ionicity and those containing hydrogen bonds and electric dipoles, the understanding is far from complete. At the same time, accurate information on the physics and chemistry of semiconductor melts is needed for the quantitative descriptions of the process of crystal growth from melt. The pre-crystallization phenomena in the liquid phase are critical because the properties of the grown crystals depend on the state and structure of the melt as well as the thermal history of the melt during solidification process. However, the data on the liquid phase, such as thermophysical properties of semiconductor melts are scarce, especially for the HgTe-based II-VI ternary compound semiconductors because of their high vapor pressure and extreme toxicity. Analysis of the thermophysical properties of the melt can provide information about structural transitions of the melt during the solidification process. From a broader point of view, the structure of liquids is much more complicated than the crystalline solids, especially the relaxation behavior through different thermal histories. The theory of hetero-phase fluctuations of liquids is applicable to any many-body systems including condensed-matter physics, field theory, physics of nuclear-matter, cosmology, biology and even sociology. This book summarizes the physics and chemistry from the experimental measurements and theoretical analyses of phase diagram, thermodynamic properties, density, thermal conductivity, viscosity, and electrical conductivity on the binary, pseudo-binary and ternary melts of the most advanced IR-detector material systems of HgCdTe and HgZnTe as well as the analyses of these results. The main objectives of this study are: (1) to provide the phase diagrams and thermodynamic properties of Hg-Cd-Te and Hg-Zn-Te systems through quantitatively fitting the experimental data by assuming an associated solution model for the liquid phase, (2) to experimentally measure the thermophysical properties of the Hg-Cd-Te and Hg-Zn-Te melts, including density, viscosity, electrical conductivity and thermal conductivity as functions of temperature and composition and (3) to enhance the fundamental knowledge of hetero-phase fluctuations and relaxation phenomena in the melts and extend our understanding of the solidification process in order to interpret the experimental results of crystal growth so as to improve the melt growth processes of the compound semiconductor. The physics and chemistry of Te and HgTe-based ternary melts were explored through the studies of the structural transformation during melting, the supercooling during solidification, the relaxation phenomena after rapid cooling of the melts and the metal-semiconductor transition in the melts through the analyses of electrical conductivity and Lorenz number. An in-depth study on the thermophysical properties and their time-dependent structural dynamic processes taking place in the vicinity of the solid-liquid phase transition of the narrow homogeneity range HgTe-based ternary semiconductors as well as the analysis of the homogenization process in the melt will also be presented.

Thermophysical properties↗
NASA NTRS2001

The Isothermal Dendritic Growth Experiment (IDGE)

Dendritic solidification is one of the simplest examples of pattern formation where a structureless melt evolves into a ramified crystalline microstructure; it is a common mode of solidification in many materials, but especially so in metals and alloys. There is considerable engineering interest in dendrites because of the role dendrites play in the determination of microstructure, and thereby in influencing the physical properties of cast metals and alloys. Dendritic solidification provides important examples of non-equilibrium physics, pattern formation dynamics, and models for computational condensed matter and material physics. Current theories of dendritic growth generally couple diffusion effects in the melt with the physics introduced by the interface. Unfortunately, in terrestrial based experiments, convective effects in the melt alter the growth process in such a manner as to prevent definitive analysis of convective, diffusive or interfacial effects. Thus, the effective elimination of convection in the melt by operating experiments on orbit were required to produce high-fidelity data needed for achieving further progress. This simple fact comprised the scientific justification for the IDGE.

Glicksman, M. E.↗
NASA NTRS1978

The primitive solar accretion disk and the formation of the planets

The author develops the idea that the formation of the solar system was triggered by the explosion of a supernova near a compressed interstellar cloud, which was further compressed by the supernova ejecta until it went over the threshold for gravitational collapse. During the collapse it is expected that the cloud would fragment into much smaller pieces. The principle source of friction in the collapsing nebula is taken to be turbulent viscosity, the required stirring having been supplied possibly by meridional circulation currents. The theory can be shown to account for how a great deal of condensed matter in the form of cometary bodies could be put into elliptical orbits extending toward 100,000 AU, the region of the Oort reservoir.

Cameron, A. G. W.↗
NASA NTRS1977

Variational calculation of ground-state energy of iron atoms and condensed matter in strong magnetic fields

Variational calculations of the binding energies of iron atoms and condensed matter in strong magnetic fields (greater than 10 to the 12th gauss). These calculations include the electron exchange energy. The cohesive energy of the condensed matter, which is the difference between these two binding energies, is of interest in pulsar theories and in the description of the surfaces of neutron stars. It is found that the cohesive energy ranges from 2.6 keV to 8.0 keV.

Flowers, E. G.↗
NASA NTRS1988

Gravitational lensing in a cold dark matter universe

Gravitational lensing due to mass condensations in a biased cold dark matter (CDM) universe is investigated using the Press-Schechter (1974) theory with density fluctuation amplitudes taken from previous N-body work. Under the critical assumption that CDM haloes have small core radii, a distribution of image angular separations for high-z lensed quasars with a peak at about 1 arcsec and a half-width of a factor of about 10. Allowing for selection effects at small angular separations, this is in good agreement with the observed separations. The estimated frequency of lensing is somewhat lower than that observed, but the discrepancy can be removed by invoking amplification bias and by making a small upward adjustment to the density fluctuation amplitudes assumed in the CDM model.

Narayan, Ramesh↗
NASA NTRS1984

Matter antimatter domains: A possible solution to the CP domain wall problem in the early universe

An SU(5) grand unified theory model is used to show how the degeneracy between vacua with different spontaneously broken charge parity can be dynamically lifted by a condensate of heavy fermion pairs. This drives a phase transition to a unique vacuum state with definite charge parity. The transition eliminates the domain walls in a matter antimatter symmetric domain cosmology.

Mohanty, A. K.↗
NASA NTRS1993

Low Temperature Research in Microgravity

The recent flight of the Lambda Point Experiment has demonstrated the potential for performing precise tests of fundamental theories using low temperature techniques in Earth orbit. NASA's Microgravity Science and Applications Division has established a program of successor expermients to investigate other aspects of condensed matter physics using the same low temperature flight facility. This paper describes the new investigations that have been chosen for flight experiments, and those selected for ground-based studies that could lead to flight experiments later.

low temperature microgravity lambda transitition l↗
NASA NTRS1992

Cooling of neutron stars

It is at present impossible to predict the interior constitution of neutron stars based on theory and results from laboratory studies. It has been proposed that it is possible to obtain information on neutron star interiors by studying thermal radiation from their surfaces, because neutrino emission rates, and hence the temperature of the central part of a neutron star, depend on the properties of dense matter. The theory predicts that neutron stars cool relatively slowly if their cores are made up of nucleons, and cool faster if the matter is in an exotic state, such as a pion condensate, a kaon condensate, or quark matter. This view has recently been questioned by the discovery of a number of other processes that could lead to copious neutrino emission and rapid cooling.

Pethick, C. J.↗
NASA NTRS1978

Precondensed matter - Key to the early solar system

Explicit astrophysical details are developed for the hypothesis that chemical and isotopic anomalies in primitive solar-system samples reflect routine initial chemical conditions within precondensed matter. The central feature of this theory concerns the chemical state of presolar dust, which is regarded as never having been vaporized in the region where the most chemically primitive samples (carbonaceous meteorites) accumulated. It is suggested that the initial chemical state of heavy atoms during meteorite and planetary accumulation was distributed between a refractory-mineral component from high-temperature condensation and a volatile component resulting from cold matter adhering to preexisting grains. Thermal conditions in the solar nebula are considered along with the existence of supernova condensates and other thermal condensates in the interstellar dust. Fractionation into volatile and refractory elements is idealized in terms of four distinct interstellar components, and the fractionated precondensed matter is described.

Clayton, D. D.↗
NASA NTRS1984

Chemical evolution of the solar nebula: A new model

The common notion of a hot solar nebula from which meteoritic minerals condensed is not supported by theories of star formation. A model is developed which can give the same sequence of condensation without recourse to hot solar nebula. In this model, the solar nebula was formed from the matter ejected by the Sun during its T Tauri phase and the chemical condensation took place in this outflowing matter. Isotopic anomalies and the unique minerals found in meteorites may be explained by this model.

Trivedi, B. M. P.↗
NASA NTRSDate not supplied

Ab initio ground states of strongly-correlated materials on quantum computers

The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving accurate many-body Hamiltonians including strong correlations, representing a subspace of interest of a material, using density functional theory calculations as a starting point. However, the solution of these material-specific models can scale exponentially on classical computers, constituting a challenge. Here we propose that utilizing quantum computers for obtaining the properties of downfolded Hamiltonians yields an accurate description of the ground state properties of strongly-correlated systems, while circumventing the exponential scaling problem. We benchmark the solution of Hubbard-like models obtained through downfolding by utilizing a classical tensor network implementation of variational quantum eigensolvers (VQE), and we reveal a strategy for driving the optimization through a hybrid minimization of the energy and maximization of the overlap with an approximate solution obtained through low-cost computational methods. This results in a reduction of the energy error by orders of magnitude compared to conventional VQE approaches, and allows us to reproduce long-range correlations for the first time. We demonstrate our first-principles approach for diverse strongly-correlated materials, correctly predicting the antiferromagnetic state of one-dimensional cuprate Ca 2 CuO 3 , the excitonic ground state of monolayer WTe2, and the charge-ordered state of correlated metal SrVO 3 . Our efficient computational implementation allows us to simulate large systems with up to 54 qubits and encompassing up to four correlated bands, which is indicative of the complexity that our framework can address.

Antonios M Alvertis↗
NASA NTRS1973

Many-particle theory of nuclear systems with application to neutron star matter

The research is reported concerning energy-density relation for the normal state of neutron star matter, and the effects of superfluidity and polarization on neutron star matter. Considering constraints on variation, and the theory of quantum fluids, three methods for calculating the energy-density range are presented. The effects of polarization on neutron star structure, and polarization effects on condensation and superfluid-state energy are discussed.

Chakkalakal, D. A.↗
NASA NTRS1986

Physics through the 1990s: Atomic, molecular and optical physics

The volume presents a program of research initiatives in atomic, molecular, and optical physics. The current state of atomic, molecular, and optical physics in the US is examined with respect to demographics, education patterns, applications, and the US economy. Recommendations are made for each field, with discussions of their histories and the relevance of the research to government agencies. The section on atomic physics includes atomic theory, structure, and dynamics; accelerator-based atomic physics; and large facilities. The section on molecular physics includes spectroscopy, scattering theory and experiment, and the dynamics of chemical reactions. The section on optical physics discusses lasers, laser spectroscopy, and quantum optics and coherence. A section elucidates interfaces between the three fields and astrophysics, condensed matter physics, surface science, plasma physics, atmospheric physics, and nuclear physics. Another section shows applications of the three fields in ultra-precise measurements, fusion, national security, materials, medicine, and other topics.

Source record↗
NASA NTRS1987

Imaginary time path integral Monte Carlo route to rate coefficients for nonadiabatic barrier crossing

Nonadiabatic transitions are central to many areas of chemical and condensed matter physics, ranging from biological electron transfer to the optical properties of one-dimensional conductors. Here, a path integral Monte Carlo method is used to simulate such transitions, based on the observation that nonadiabatic rate coefficients are often dominated by saddle point trajectories that correspond to an imaginary time. Simple analytic theories can be used to continue these imaginary time correlation functions to determine rate coefficients. The advantages and drawbacks of this approach are discussed.

Wolynes, Peter G.↗
NASA NTRS1972

Neutron stars.

Current theories of stellar evolution are examined, giving attention to neutrino emission processes and stellar collapse. Neutrinos can transfer energy produced in the collapsing core to the outer parts of the star. If the remaining core does not exceed a certain mass, it can remain in this highly condensed state to form a neutron star. The properties of neutron matter are discussed, taking into account the superfluid state, the crystallization of matter at subnuclear densities, aspects of rotation, and the magnetic field.

Chiu, H. Y.↗
NASA NTRS1993

The giant impact produced a precipitated Moon

The author's current simulations of Giant Impacts on the protoearth show the development of large hot rock vapor atmospheres. The Balbus-Hawley mechanism will pump mass and angular momentum outwards in the equatorial plane; upon cooling and expansion the rock vapor will condense refractory material beyond the Roche distance, where it is available for lunar formation. During the last seven years, the author together with several colleagues has carried out a series of numerical investigations of the Giant Impact theory for the origin of the Moon. These involved three-dimensional simulations of the impact and its aftermath using Smooth Particle Hydrodynamics (SPH), in which the matter in the system is divided into discrete particles whose motions and internal energies are determined as a result of the imposed initial conditions. Densities and pressures are determined from the combined overlaps of the particles, which have a bell-shaped density distribution characterized by a smoothing length. In the original series of runs all particle masses and smoothing lengths had the same values; the matter in the colliding bodies consisted of initial iron cores and rock (dunite) mantles. Each of 41 runs used 3,008 particles, took several weeks of continuous computation, and gave fairly good representations of the ultimate state of the post-collision body or bodies but at best crude and qualitative information about individual particles in orbit. During the last two years an improved SPH program was used in which the masses and smoothing lengths of the particles are variable, and the intent of the current series of computations is to investigate the behavior of the matter exterior to the main parts of the body or bodies subsequent to the collisions. These runs are taking times comparable to a year of continuous computation in each case; they use 10,000 particles with 5,000 particles in the target and 5,000 in the impactor, and the particles thus have variable masses and smoothing lengths (the latter are dynamically adjusted so that a particle typically overlaps a few tens of its neighbors). Since the matter in the impactor provides the majority of the mass left in orbit after the collision, and since the masses of the particles that originated in the impactor are smaller than those in the target, the mass resolution in the exterior parts of the problem is greatly improved and the exterior particles properly simulate atmospheres in hydrostatic equilibrium.

Cameron, A. G. W.↗
NASA NTRS1979

A tidal theory for the origin of the solar nebula

A model for the origin of the solar nebula is developed with attention to the significance of angular momentum considerations. Evidence that stars are born in groups rather than singly is examined. It is shown that protostars which are members of typical galactic clusters have some probability of undergoing a gravitational encounter with another star while they are collapsing. According to the model, these encounters impart disproportionate amounts of angular momentum to the later material to fall in toward already centrally condensed fragments. The amount of central condensation of a fragment is the overriding factor in determining its stability against destruction by tidal forces. The encounter also imparts angular momentum to matter that is still accreting onto the protosun.

Kobrick, M.↗