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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Vapor Growth of ZnSe-based Compound Semiconductors in Low Gravity environment on International Space Station

Six low-gravity experiments of crystal growth of ZnSe-based compound semiconductors by physical vapor transport (PVT) are scheduled to be processed inside Low Gradient Furnace (LGF) on Materials Science Research Rack (MSRR) in Material Science Laboratory (MSL) on International Space Station (ISS) starting from February 27th, 2023. The flight samples consist of three unseeded growths of ZnSe, Cr-doped ZnSe and ZnSeTe as well as growth of ZnSe on top of three single crystal ZnSe seeds with orientation of (100), (110) and (111). The main scientific objective of the flight experiments is to establish the effects of gravity-driven fluid flows on Earth to (i) the non-uniform incorporation of impurities and defects and (ii) the deviation from stoichiometry observed in the grown crystals caused by growth interface fluctuations and evolution as the results of buoyancy-driven convection and irregular fluid-flows. The investigation will also evaluate the effects of gravity on the PVT process by examining (i) the growth kinetics on various seed orientations, (ii) the dopant segregation and distribution in the Cr doped ZnSe, and (iii) the compositional segregation and distribution in the ternary ZnSeTe crystal grown by PVT. Additionally, from X-ray diffraction/topography and by measuring the density and distribution of various crystalline defects it will assess the self-induced strain effects developed during processing at elevated temperatures caused by the weight of the crystals. During the ground-based preparations, the following tasks have been accomplished: • Establish the thermodynamic properties of the ZnSe binary and related ternary systems by measuring the partial pressures of the vapor phase coexisting with the condensed phases and perform phase diagram calculations for comparison. • Evaluate the effects of gravity-driven convection in the growth process by performing experiments under various vapor transport orientations relative to gravity vector, i.e., horizontal, vertically stabilized and destabilized configurations. • Establish a quantitative correlation between growth parameters and the characteristics and properties of the grown crystals by characterizing the crystals using a variety of techniques. • Evaluate the fundamentals of the current theories on vapor transport and crystal growth kinetics by performing in-situ and real-time monitoring techniques during growth. • Develop a one-dimensional diffusion limited theory of mass transport and two- and three-dimensional numerical simulations of both mass transport and heat transfer and thus establish the microgravity requirements for the flight experiments and to predict the characteristics of the grown crystals such as the solid-vapor interface shapes… etc. and establish a fundamental understanding of the crystal growth process from the comparison with experimental results.

ZnSe↗
DOE OSTI2024

Transport coefficients of warm dense matter from Kohn-Sham density functional theory

We present a comprehensive study of transport coefficients including DC electrical conductivity and related optical properties, electrical contribution to the thermal conductivity, and the shear viscosity via ab initio molecular dynamics and density functional theory calculations on the “priority 1” cases from the “Second Charged-Particle Transport Coefficient Workshop” [Stanek et al., Phys. Plasmas (to be published 2024)]. The purpose of this work is to carefully document the entire workflow used to generate our reported transport coefficients, up to and including our definitions of finite size and statistical convergence, extrapolation techniques, and choice of thermodynamic ensembles. In pursuit of accurate optical properties, we also present a novel, simple, and highly accurate algorithm for evaluating the Kramers–Kronig relations. These heuristics are often not discussed in the literature, and it is hoped that this work will facilitate the reproducibility of our data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A Stochastic Transport Model for the Cumulative Number of Fissions and Deposited Fission Energy

The stochastic theory of neutron transport is extended to describe the cumulative distribution of fission numbers and deposited fission energy in a multiplying assembly. Solutions for the probability distributions are obtained using analytical approximations and Monte Carlo simulation in lumped geometry and in symmetric homogeneous and heterogeneous spheres. The results show the development of a power-law tail in the steady state fission number and deposited energy distributions when the medium is critical, independent of the fission neutron multiplicity distribution and domain heterogeneity. In contrast, the asymptotic decay is faster than exponential in subcritical media due to rapid chain extinction and in supercritical media due to the increasing probability of chain divergence. Here, a formal asymptotic analysis of the problem in lumped geometry with an arbitrary fission neutron multiplicity confirms the existence of power-law tails at critical.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1989

Ballistic transport in planetary ring systems due to particle erosion mechanisms. I - Theory, numerical methods, and illustrative examples

Ballistic transport, defined as the net radial transport of mass and angular momentum due to exchanges of meteoroid hypersonic-impact ejecta by neighboring planetary ring regions on time-scales orders-of-magnitude shorter than the age of the solar system, is presently considered as a problem in mathematical physics. The preliminary results of a numerical scheme for following the combined effects of ballistic transport and viscous diffusion demonstrate that ballistic transport generates structure near sharp edges already present in the ring-mass distribution; the entire ring system ultimately develops an undulatory structure whose length scale is typically of the order of the radial excursion of the impact ejecta.

Durisen, Richard H.↗
NASA NTRS1983

Electrostatic waves and anomalous transport in the solar wind

In situ measurements of fluctuation spectra and particle distribution functions have now been carried out throughout interplanetary space. The link between these observations is established by theories of wave particle interaction. Linear instability analysis for the actual nonMaxwellian particle distribution functions and an examination of the velocity dependence of microscopic diffusion coefficients form the basis of such an investigation. It is described in more detail for the short wavelength, ion acoustic like turbulence which is found by linear instability analysis to correspond to the observed electrostatic fluctuations. Of the transport processes associated with these fluctuations, electron heat conduction and electron ion energy transfer are of particular importance for macroscopic solar wind expansion. These effects are studied with the aid of an anomalous transport theory. This theory (Dum, 1978 a,b) is based on the dominance of elastic scattering of electrons by fluctuations, similar to (enhanced) electron ion collisions. It has a much wider range of applicability than classical transport theory, which assumes dominance of Coulomb collisions for elastic and inelastic scattering.

Dum, C. T.↗
DOE OSTI2025

Thermal relaxation and the complete set of second-order transport coefficients for the unitary Fermi gas from kinetic theory

We compute the complete set of second-order transport coefficients of the unitary Fermi gas, a dilute gas of spin-1/2 particles interacting via an 𝑠 -wave interaction tuned to infinite scattering length. The calculation is based on kinetic theory and the Chapman-Enskog method at second order in the Knudsen expansion. We take into account the exact two-body collision integral. We extend previous results on second-order coefficients related to shear stress by including terms related to heat flow and gradients of the fugacity. We confirm that the thermal relaxation time is given by the simple estimate 𝜏 𝜅 = 𝜅⁢𝑚/(𝑐 𝑃 ⁢𝑇) even if the full collision kernel is taken into account. Furthermore, 𝜅 is the thermal conductivity, 𝑚 is the mass of the particles, 𝑐𝑃 is the specific heat at constant pressure, and 𝑇 is the temperature.

Kinetic theory↗
DOE OSTI2024

Phonon transport governed by intrinsic scattering in short-period AlN/GaN superlattices

Here we employ density functional theory based phonon transport methods to provide a rigorous understanding of the nature of thermal transport in coherent short-period AlN/GaN superlattices (SLs), with period lengths up to three unit cells of each, and compare these with properties of their bulk constituents. Increasing the period length leads to phonon band folding with frequency gaps and thus smaller phonon velocities and more phonon scattering than in bulk, both of which reduce lattice thermal conductivity (κ). Contrary to expectations, we find that velocity variations among larger-period AlN/GaN SLs play only a minor role in cross-plane κ reductions, while variations in intrinsic phonon scattering are strongly correlated with their transport behaviors. This work provides insights into the microscopic behaviors of technologically relevant nanostructured materials, which are likely applicable to a wider range of SL systems and other nanostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Investigations about iso-geometric analysis for self-shielding calculations with the subgroup method

The implementation of a self-shielding method for a neutron transport calculation code based on the iso-geometric analysis (IGA) method that can resolve the multi-group neutron transport equation for arbitrary spatial domain, is presented. The self-shielding model based on the subgroup theory is adopted because the subgroup method can be used to perform calculations for any arbitrary geometrical domain which is the main purpose of our IGA code. Some basic theory of the subgroup method is given. A self-shielding calculation based on the PWR fuel pin composed of MOX fuel is presented and compared with a Monte Carlo calculation. The result is that the combination of SN transport theory, IGA and the subgroup method gives correctly shielded cross sections. Validation of the combination of the IGA method and SN neutron transport for subgroup calculations in two steps are presented: the first step is to ascertain the correctness of the IGA solutions compared to a known analytical solution in diffusion theory; the second step is a validation of the IGA solutions compared to a reference calculation in SN transport theory. The relation between the settings for the IGA solver and the accuracy of the results are elucidated. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Extended Donnan-Manning theory for selective ion partition and transport in ion exchange membrane

The use of ion exchange membranes (IEMs) for electrochemical ion-ion separation leverages the selectivity of the IEMs toward like-charged species via valence difference and/or other ion membrane interactions. A mechanistic model that relates selectivity with membrane structural and chemical properties is lacking in the literature. Here, in this study, we extend the Manning’s counter-ion condensation model for describing ion partition and ion mobility inside IEMs to mixed salts scenarios. We evaluate the extended Donnan-Manning model against experimental data from literature and compare the performance the Donnan-Manning model to that of the ideal Donnan model and the Donnan-Affinity model. Our analysis shows that, despite its structural complexity, the Donnan-Manning model has less fitting parameters than the Donnan-Affinity model and generally outperforms the two other models in predicting counter-ion and co-ion partition. With the assumption of a higher mobility of condensed ions than that of uncondensed ions, the generalized Manning’s model can also predict counter-ion mobility selectivity for cation exchange membranes, but its performance for predicting mobility selectivity for anion exchange membranes is still unsatisfactory.

42 ENGINEERING↗
DOE OSTI2023

Spin polarization and correlation of quarks from the glasma

We investigate the interaction of strong color fields in the glasma stage of high-energy nuclear collisions with the spins of quarks and antiquarks. We employ the perturbative solution of the quantum kinetic theory for the spin transport of (massive) quarks in a background color field governed by the linearized Yang-Mills equation and derive expressions for the quark-spin polarization and quark-antiquark spin correlation at small momentum in terms of field correlators. For the Golec-Biernat–Wusthoff dipole distribution the quark-spin polarization vanishes, but the out-of-plane spin correlation of quarks and antiquarks is nonzero. Our order-of-magnitude estimate of the correlation far exceeds that caused by vorticity effects, but does not fully explain the data for vector meson alignment. We identify possible mechanisms that could further increase the predicted spin correlation.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

Theory of plasma contractors for electrodynamic tethered satellite systems

Recent data from ground and space experiments indicate that plasma releases from an object dramatically reduce the sheath impedance between the object and the ambient plasma surrounding it. Available data is in qualitative accord with the theory developed to quantify the flow of current in the sheath. Electron transport in the theory is based on a fluid model of a collisionless plasma with an effective collision frequency comparable to frequencies of plasma oscillations. The theory leads to low effective impedances varying inversely with the square root of the injected plasma density. To support such a low impedance mode of operation using an argon plasma source for example requires that only one argon ion be injected for each thirty electrons extracted from the ambient plasma. The required plasma flow rates are quite low; to extract one ampere of electron current requires a mass flow rate of about one gram of argon per day.

Parks, D. E.↗
NASA NTRS1987

Theory of plasma contactors for electrodynamic tethered satellite systems

Recent data from ground and space experiments indicate that plasma releases from an object dramatically reduce the sheath impedance between the object and the ambient plasma surrounding it. Available data is in qualitative accord with the theory developed to quantify the flow of current in the sheath. Electron transport in the theory is based on a fluid model of a collisionless plasma with an effective collision frequency comparable to frequencies of plasma oscillations. The theory leads to low effective impedances varying inversely with the square root of the injected plasma density. To support such a low impedance mode of operation using an argon plasma source, for example, requires that only one argon ion be injected for each thirty electrons extracted from the ambient plasma. The required plasma flow rates are quite low; to extract one ampere of electron current requires a mass flow rate of about one gram of argon per day.

Parks, D. E.↗
NASA NTRS1988

Theory of high-field electronic transport in bulk ZnS and ZnSe

This paper theoretically investigates the nature of electronic transport and the high-energy tails of the electron distribution functions in bulk ZnSe and ZnS as a function of the applied electric field were investigated using calculations based on an ensemble Monte Carlo model. The calculations include the full details of the first two conduction bands as well as the full-order treatment of the electron-phonon scattering mechanisms. Results of high-field electronic transport calculations show that the electron energy distribution function is significanty cooler in ZnS than in ZnSe at comparable electric field strengths. The cooler distribution in ZnS is due to the much greater electron scattering rate. Consequently, it is more difficult to achieve carrier heating to comparable energies in ZnS than in ZnSe.

Brennan, Kevin↗
DOE OSTI2023

Comparing Theoretical Salt Concentration Profiles in a Polymer Electrolyte with Experimental Measurements using Operando Raman Spectroscopy

Concentrated solution theory has furthered our understanding of ion transport in electrolytes. This theory can be used to predict salt concentration profiles under an applied current if the transport properties of the electrolyte (conductivity ( κ ), restricted diffusion coefficient ( D ), and the cation transference number with respect to the solvent velocity ( t + 0 )), and the thermodynamic factor ( T f ) are known. In this work, we provide the first study comparing the predicted salt concentration profiles with measurements based on operando Raman spectroscopy. Concentration polarization is asymmetrical; the increase in salt concentration near the positive electrode is a factor of two greater than the decrease in salt concentration near the negative electrode. We find qualitative agreement between theory and experiment. Further work is needed to resolve the quantitative differences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Efficiency of a statistical transport model for turbulent particle dispersion

In developing its theory for turbulent dispersion transport, the Litchford and Jeng (1991) statistical transport model for turbulent particle dispersion took a generalized approach in which the perturbing influence of each turbulent eddy on consequent interactions was transported through all subsequent eddies. Nevertheless, examinations of this transport relation shows it to be able to decay rapidly: this implies that additional computational efficiency may be obtained via truncation of unneccessary transport terms. Attention is here given to the criterion for truncation, as well as to expected efficiency gains.

Litchford, Ron J.↗
NASA NTRS1981

Transport, charge exchange and loss of energetic heavy ions in the earth's radiation belts - Applicability and limitations of theory

Computer simulations of processes which control the relative abundances of ions in the trapping regions of geospace are compared with observations from discriminating ion detectors. Energy losses due to Coulomb collisions between ions and exospheric neutrals are considered, along with charge exchange losses and internal charge exchanges. The time evolution of energetic ion fluxes of equatorially mirroring ions under radial diffusion is modelled to include geomagnetic and geoelectric fluctutations. Limits to the validity of diffusion transport theory are discussed, and the simulation is noted to contain provisions for six ionic charge states and the source effect on the radiation belt oxygen ion distributions. Comparisons are made with ion flux data gathered on Explorer 45 and ISEE-1 spacecraft and results indicate that internal charge exchanges cause the radiation belt ion charge state to be independent of source charge rate characteristics, and relative charge state distribution is independent of the radially diffusive transport rate below the charge state redistribution zone.

Spjeldvik, W. N.↗
DOE OSTI2021

Pair Fluctuation Effects on Quasiparticle Transport in Fermi Systems

The leading corrections to Fermi liquid theory for non-equilibrium quasiparticle transport near a Cooper instability arise from the virtual emission and absorption of incipient Cooper pairs. We formulate the corrections to the Landau-Boltzmann transport equation starting from Keldysh's field theory for non-equilibrium, strongly interacting Fermions. The theory is applicable to quasiparticle transport in conventional and unconventional superconductors, dense nuclear matter and the low temperature phases of liquid $^3$He. Validation of the theory is provided by our analysis, and quantitative agreement between theory and experiment, of the excess attenuation of zero sound in liquid $^3$He near the superfluid transition. We propose an additional experimental test of the theory based on the effects of a Zeeman field on the spectrum of pairing fluctuations for the Cooper instability in spin-triplet superfluids.

Lin, Wei-Ting↗