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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Charge Carrier and Spin Diffusion in a Polycrystalline and Single Crystal Lead Halide Perovskite Semiconductor

The directed movement of spin-bearing excitations in semiconductors can enable many potential schemes for spintronic applications. Understanding the mechanism of spin motion, as opposed to charge carrier or exciton motion, may require specialized techniques and sample conditions. Here we employ the noncontact and time-resolved technique of light-induced transient grating spectroscopy (LITG) to measure both carrier and spin motion in a perovskite semiconductor with varying crystallinity. The carrier motion aligns with expectations from past studies undertaken at low fluence, revealing an ambipolar diffusion coefficient on the order of 1 cm 2 /sec and diffusion length of roughly 1.5 μm for single crystals that is strongly attenuated as crystallite size decreases. The spin diffusion is measured with cross-polarized excitation beams and uncovers an intensity-dependent coefficient rising above 100 cm 2 /sec. The fast room-temperature spin relaxation limits the spin diffusion length, but the remarkable speedup of spin over carrier diffusion suggests a mechanism involving a combination of exchange-mediated and doping effects that enhance spin transport.

14 SOLAR ENERGY↗
DOE OSTI2026

Evaluating the Transport Mechanism for Lignocellulosic Inhibitors in Zymomonas mobilis

The conversion of lignocellulosic biomass to biofuels and bioproducts is limited by small inhibitory molecules generated during the pretreatment process. The diverse compounds within the cell wall hydrolysate including aldehydes, carboxylic acids, phenolics, and alcohols inhibit microbial growth by disrupting microbial membranes. Although Zymomonas mobilis combines high ethanol productivity with hopanoid-rich membranes that confer solvent tolerance, hydrolysate compounds still inhibit microbial growth. One proposed mitigation strategy is to pump these molecules out through active transport processes, reducing direct toxicity. However, if passive permeation rates are high, active transport would create a futile cycle where the exported molecules diffuse back in, creating a net drag on fitness. To investigate this hypothesis, we measure the passive permeation for thirty-three lignocellulose derived compounds using atomistic molecular dynamics simulations with enhanced sampling. Permeability coefficients determined spanned more than eight orders of magnitude driven largely by the balance between hydrophobicity and polarity. Hydrophobic inhibitors such as aromatic acids, aldehydes, and short chain alcohols readily partitioned into the membrane and showed high permeability consistent with rapid passive influx and strong toxicity. Most polar molecules have lower but still appreciable permeation rates, with only the most polar sugars having low permeabilities. By integrating these predictions together with hydrolysate composition information, we find that most of these molecules are so permeable that futile cycles where passive permeation overwhelms efflux is highly likely. These findings provide a predictive framework for strain engineering, highlighting that, for highly permeable inhibitors, reducing extracellular inhibitor concentrations through hydrolysate detoxification, pretreatment optimization, or dilution may be necessary to mitigate futile cycling and improve microbial productivity in industrial biorefineries.

Zymomonas mobilis↗
DOE OSTI2026

A fresh perspective on the role of band bending, and related contributors, in light-driven production of electricity and chemicals

It is widely known that semiconductor-based solar energy conversion could power our planet. This is in part because high-quality semiconductor structures are unrivalled in their ability to separate photogenerated electrons and holes. One effective approach to achieving this photoinduced charge separation relies on a phenomenon known as “band bending”. But details to justify why band bending results in photoinduced charge separation are more complex than often appreciated. This underappreciation is an impediment to the rational, hypothesis-driven design of next-generation approaches to solar energy conversion. Herein we show, by means of derivations rooted in physical chemistry, that several phenomena – not just band bending – can facilitate photoinduced charge separation, and that each is influenced by nonequilibrium species concentration and a parameter, such as diffusion coefficient or rate coefficient, that introduces dynamics. To help visualize the impact of each phenomenon, we introduce plots that depict their contributions as free energy, force, flux, force constant, and rate. We reveal that spatial dopant distributions that define band bending are predictors of initial photogenerated species transport rates. But charge separation alone does not guarantee high-efficiency operation. A photogenerated change in energy that is freely available to do useful work is also essential, and is strongly dependent on semiconductor optical properties and reaction kinetics. Notably, this information reveals that specificity of interfacial chemical reactions – even when they are not preceded by charge separation elsewhere – can result in efficient solar energy conversion. We expect that this tutorial will guide researchers in their pursuit to uncover new mechanisms for light to perform useful work.

14 SOLAR ENERGY↗
NASA NTRS1984

The suppression of convective wavebreaking by radiative transfer processes, part 1.3C

Schoeberl et al. (1983) suggested that convective wavebreaking of monochromatic gravity waves might be suppressed by radiative transfer processes if the vertical wavelength waves were sufficiently short. As the vertical wavelength or the gravity wave decreases, radiative transfer between adjacent vertical layers becomes increasingly important. This exchange can increase the radiative relaxation time scale so that the wave will no longer grow with altitude. Thus, very short vertical wavelength waves may dissipate radiatively rather than become convectively unstable. Apruzese and Strobel (1984) have revised the exchange coefficients used in Schoeberl et al. (1983). Also, Chao and Schoeberl (1984) pointed out that the computation made by LINDZEN (1981) of the convective diffusion rate may be a factor of two too low as the convective adjustment processes tends to minimize the thermal transport by the wave. The purpose here is to revise the values given in Schoeberl et al. (1983). These results also suggest that the very thin turbulent layers observed by mesosphere-stratosphere-troposphere (MST) radars (e.g., WOODMAN, 1980) cannot be produced by the convective instability of monochromatic gravity waves with large horizontal scales.

Schoeberl, M. R.↗
NASA NTRS1989

Hypervelocity atmospheric flight: Real gas flow fields

Flight in the atmosphere is examined from the viewpoint of including real gas phenomena in the flow field about a vehicle flying at hypervelocity. That is to say, the flow field is subject not only to compressible phenomena, but is dominated by energetic phenomena. There are several significant features of such a flow field. Spatially, its composition can vary by both chemical and elemental species. The equations which describe the flow field include equations of state and mass, species, elemental, and electric charge continuity; momentum; and energy equations. These are nonlinear, coupled, partial differential equations that have been reduced to a relatively compact set of equations in a self-consistent manner (which allows mass addition at the surface at a rate comparable to the free-stream mass flux). The equations and their inputs allow for transport of these quantities relative to the mass-average behavior of the flow field. Thus transport of mass by chemical, thermal, pressure, and forced diffusion; transport of momentum by viscosity; and transport of energy by conduction, chemical considerations, viscosity, and radiative transfer are included. The last of these complicate the set of equations by making the energy equations a partial integrodifferential equation. Each phenomenon is considered and represented mathematically by one or more developments. The coefficients which pertain are both thermodynamically and chemically dependent. Solutions of the equations are presented and discussed in considerable detail, with emphasis on severe energetic flow fields. Hypervelocity flight in low-density environments where gaseous reactions proceed at finite rates chemical nonequilibrium is considered, and some illustrations are presented. Finally, flight where the flow field may be out of equilibrium, both chemically and thermodynamically, is presented briefly.

Howe, John T.↗
NASA NTRS1990

Hypervelocity atmospheric flight: Real gas flow fields

Flight in the atmosphere is examined from the viewpoint of including real gas phenomena in the flow field about a vehicle flying at hypervelocity. That is to say, the flow field is subject not only to compressible phenomena, but is dominated by energetic phenomena. There are several significant features of such a flow field. Spatially, its composition can vary by both chemical and elemental species. The equations which describe the flow field include equations of state and mass, species, elemental, and electric charge continuity; momentum; and energy equations. These are nonlinear, coupled, partial differential equations that were reduced to a relatively compact set of equations of a self-consistent manner (which allows mass addition at the surface at a rate comparable to the free-stream mass flux). The equations and their inputs allow for transport of these quantities relative to the mass-averaged behavior of the flow field. Thus transport of mass by chemical, thermal, pressure, and forced diffusion; transport of momentum by viscosity; and transport of energy by conduction, chemical considerations, viscosity, and radiative transfer are included. The last of these complicate the set of equations by making the energy equation a partial integrodifferential equation. Each phenomenon is considered and represented mathematically by one or more developments. The coefficients which pertain are both thermodynamically and chemically dependent. Solutions of the equations are presented and discussed in considerable detail, with emphasis on severe energetic flow fields. For hypervelocity flight in low-density environments where gaseous reactions proceed at finite rates, chemical nonequilibrium is considered and some illustrations are presented. Finally, flight where the flow field may be out of equilibrium, both chemically and thermodynamically, is presented briefly.

Howe, John T.↗
NASA NTRS1994

Time-dependent simulation of cosmic-ray shocks, including Alfven transport

Time evolution of plane, cosmic-ray modified shocks has been simulated numerically for the case with parallel magnetic fields. Computations were done in a 'three-fluid' dynamical model incorporating cosmic-ray and Alfven-wave energy transport equations. Nonlinear feedback from the cosmic rays and Alfven waves is included in the equation of motion for the underlying plasma, as is the finite propagation speed and energy dissipation of the Alfven waves. Exploratory results confirm earlier, steady state analyses that found these Alfven transport effects to be potentially important when the upstream Alfven speed and gas sound speeds are comparable. As noted earlier, Alfven transport effects tend to reduce the transfer of energy through a shock from gas to energetic particles. These studies show as well that the timescale for modification of the shock is altered in nonlinear ways. It is clear, however, that the consequences of Alfven transport are strongly model dependent and that both advection of cosmic rays by the waves and dissipation of wave energy in the plasma will be important to model correctly when quantitative results are needed. Comparison is made between simulations based on a constant diffusion coefficient and more realistic diffusion models allowing the diffusion coefficient to vary in response to changes in Alfven wave intensity. No really substantive differences were found between them.

Jones, T. W.↗
NASA NTRS2000

Global Geophysical Fluids Center of IERS

The Global Geophysical Fluids Center (GGFC) and its seven Special Bureaus (SB, for Atmosphere, Oceans, Tides, Hydrology, Mantle, Core and Gravity/Geocenter) were establishes by the International Earth Rotation Service in 1998, to support global geodynamic research. Mass transports in the geophysical fluids of the Earth system will cause observable geodynamic effects on a broad time scale.These include (1) variations in the solid Earth's rotation (in length-of-day and polar motion/nutation) via the conservation of angular momentum and effected by torques at the fluid-solid Earth interface; (2) changes in the global gravitational field according to Newton's gravitational law; and (3) motion in the center of mass of the solid Earth relative to that of the whole Earth ("geocenter") via the conservation of linear momentum. These minute signals have become observable by space geodetic techniques, primarily VLBI, SLR, GPS, and DORIS, and new exciting data will be available by space gravity, altimetry, SAR, and magnetic missions. In this sense the precise space geodetic techniques have become effective means of remote sensing of global mass transports. The GGFC and its SBs have the responsibility of supporting, facilitating, and providing services to the worldwide research community in the related research areas. We compute, analyze, compare, archive, and disseminate the time series of the angular momenta and the related torques, gravitational coefficients, and geocenter shift for all geophysical fluids, based on global observational data, and/or products from state-of-the-art models some of which assimilate such data. The computed quantities, algorithm and data formats are standardized. This paper reviews our activities, reports the status, and looks forward into the future.

Chao, Benjamin F.↗
NASA NTRS1997

Growth, Spectroscopy and Photorefractive Investigation of Vanadium Doped CdSSe

We present two-wave mixing results obtained with a CdS(0.8)Se(0.2):V crystal. The CdS(0.8)Se(0.2):V crystal was grown by physical vapor transport (PVT) along with a concentration of 150 ppm (nominal) vanadium for creating trap centers. The as-grown crystal has a large crystal size, good optical quality, and a medium resistivity of 10(exp 6) - 108 ohms-cm. A large photorefractive gain coefficient of ().24 cm-' was observed at 633 nm with an optical intensity of 60 mW/cm(exp 2) and a grating period of 1.6 microns. To our knowledge, this is the first observation of the photorefractive effect in a vanadium doped CdSSe crystal. Room temperature absorption and low temperature photoluminescence spectroscopy measurements are also discussed. With a significant photorefractive effect, the CdSSe:V crystals are promising for device applications based on photorefractive effect, in the wavelength range of 600-700 nm.

Davis, Michelle↗
NASA NTRS1976

On estimating thermal conductivity coefficients in the critical region of gases

The thermal conductivity of a fluid exhibits a pronounced anomalous increase in a large range of densities and temperatures around the gas-liquid critical point. In this paper we discuss an attempt to estimate the thermal conductivity in the critical region of fluids from a knowledge of the equilibrium properties and the regular behavior of the transport properties outside the critical region.

Hanley, H. J. M.↗
DOE OSTI2022

Study of quasi-collisional effects in laboratory and astrophysical plasmas

High-amplitude turbulence excited in plasmas at small-scales can leave imprint on the radiation produced by (accelerated) plasma particles -- mostly electrons in electron-ion plasmas and both electrons and positrons in lepton pair plasmas. Furthermore, turbulence is known to introduce "effective collisional" effects -- anomalous resistivity, dissipation, diffusion, etc. -- in the otherwise collisionless plasmas. These effective collisions affect radiation transfer and modify optical and magneto-optic effects -- the transmittance and reflectivity coefficients, Faraday rotation, etc. Note that the effective collisions considered in this project are not resonant wave-particle interactions, but much less conventional randomization of particles’ paths. Therefore, we colloquially refer them to as "quasi-collisions". The study of quasi-collisions on transport, radiative and optical properties of plasmas is the main focus of this project.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1975

An investigation of the solar zenith angle variation of D-region ionization

Model calculations are carried out with a view to interpreting the solar zenith angle variation of D-region ionization. A model is developed for the neutral chemistry including the transport terms relating to molecular and eddy diffusion. The diurnal behavior is described of the minor neutral constituents formed in an oxygen-hydrogen-nitrogen atmosphere, in the height interval between 30 and 120 km. Computations carried out for two cases of the eddy diffusion coefficients models indicate that the constituents which are important for the D-region positive-ion chemistry do not show a significant variation with zenith angle for values up to 75 deg over the D-region heights. In the ion chemistry model, ion-pair production rates are calculated for solar X-rays between 1 A and 100 A, EUV radiations from 100 A up to the Lyman-alpha line, precipitating electrons, and galactic cosmic rays. The solar zenith angle variation of the positive-ion composition, negative-ion composition, and the electron densities are described up to 75 deg zenith angle, in the height interval between 60 and 100 km.

Ratnasiri, P. A. J.↗
NASA NTRS1976

Kinetic theory of turbulent compressible flows and comparison with classical theory

A complete set of turbulent correlations is given in terms of expansion coefficients in a double series of Hermite polynomials of a two-particle correlation in phase space. Only two of these coefficients, corresponding to Reynolds stress and turbulent heat flux, are shown to appear in gasdynamic equations of turbulence. This is accomplished by incorporating the phase-space correlation in the collision integral of Boltzmann's equation and by deriving generalized Navier-Stokes and Fourier transport relations. In contrast to the classical formalism, the simple expression remains invariant in form whether the flow is compressible or not. Nevertheless, a bilinear transformation of fluctuating quantities shows that the two formalisms are identical with regard to terms of double correlations. The kinetic theory justifies nonexistence of the higher-order correlations characteristic of compressible-turbulence equations in the classical regime.

Tsuge, S.↗
NASA NTRS1979

On solar cosmic rays

The report summarizes the major results obtained over the last four years in the following areas: (1) transport in interplanetary space which includes solar particle observations combined with theoretical efforts to develop models which simulate the dynamics of the event; (2) transport in the solar corona and release of particles in the interplanetary medium; and (3) characteristics of source spectra and acceleration models. Modelling the propagation of solar cosmic rays through interplanetary space and establishing the magnitude and the radial and energy dependence of the diffusion coefficient K are considered. An important result due to statistical observation is that the coronal propagation must be independent of or weakly dependent on both rigidity and energy. Increasing evidence is found for prolonged injection at the sun.

Van Hollebeke, M. A. I.↗
NASA NTRS1980

Theoretical mean colors for RR Lyrae variables

A hydrodynamically pulsating 0.6 solar mass model of a typical RR Lyrae variable was studied with a radiation transport-hydrodynamic computer program to predict theoretical T sub 3 and colors at many phases and to find the proper methods for getting mean colors and the consequent mean effective temperatures. The variable Eddington radiation approximation method was used with gray and with multifrequency absorption coefficients to represent the radiation flow in the outer optically thin layers. Comparison between observed and computed B-V colors indicate that these low Z population 2 models are reasonably accurate using King 1A composition opacities. The well known Oke, Giver, and Searle relation between B-V and T sub e reproduced. Mean colors were found by four different averaging methods. The method that gives a mean color and the mean T sub e closest to the nonpulsating model was the separate intensity means of B and V.

Davis, C. G.↗
NASA NTRS1991

Multi-element airfoil optimization for maximum lift at high Reynolds numbers

An experimental study has been performed to assess the maximum lift capability of a supercritical multielement airfoil representative of an advanced transport aircraft wing. The airfoil model was designed with a leading-edge slat and single or two-segment trailing-edge flaps. Optimization work was performed at various slat/flap deflections as well as gap/overhang positions. Landing configurations and the attainment of maximum lift coefficients of 4.5 with single-element flaps and 5.0 with two-segment flaps was emphasized. Test results showed a relatively linear variation of the optimum gap/overhang positioning of the slat versus slat deflection, considerable differences in optimum rigging between single and double segment flaps, and large Reynolds number effects on multielement airfoil optimization.

Valarezo, Walter O.↗
NASA NTRS1993

Time dependent simulation of cosmic-ray shocks including Alfven transport

Time evolution of plane, cosmic-ray modified shocks was simulated numerically for the case with parallel magnetic fields. Computations were done in a 'three-fluid' dynamical model incorporating cosmic-ray and Alfven wave energy transport equations. Nonlinear feedback from the cosmic-rays and Alfven waves is included in the equation of motion for the underlying plasma, as is the finite propagation speed and energy dissipation of the Alfven waves. Exploratory results confirm earlier, steady state analyses that found these Alfven transport effects to be potentially important when the upstream Alfven speed and gas sound speeds are comparable. As noted earlier Alfven transport effects tend to reduce the transfer of energy through a shock from gas to energetic particles. These studies show as well that the time scale for modification of the shock is altered in nonlinear ways. It is clear, however, that the consequences of Alfven transport are strongly model dependent and that both advection of cosmic-rays by the waves and dissipation of wave energy in the plasma will be important to model correctly when quantitative results are needed. Comparison is made between simulations based on a constant diffusion coefficient and more realistic diffusion models allowing the diffusion coefficient to vary in response to changes in Alfven wave intensity. No really substantive differences were found between them.

Jones, T. W.↗
DOE OSTI2025

Integrated modeling of RF-induced tungsten erosion at ICRH antenna structures in the WEST tokamak *

This paper introduces STRIPE (Simulated Transport of RF Impurity Production and Emission), an advanced modeling framework developed to analyze material erosion and the global transport of eroded impurities originating from radio-frequency (RF) antenna structures in magnetic confinement fusion devices. STRIPE integrates multiple physics modules: SolEdge3x for scrape-off-layer plasma profiles, COMSOL for 3D RF rectified sheath potentials, RustBCA for erosion yields and surface interactions, and global impurity transport for 3D ion energy-angle distributions and impurity transport. The framework is applied to an ion cyclotron RF-heated L-mode discharge (#57877) in the WEST tokamak, where it predicts a thirty-fold increase in gross tungsten erosion at antenna limiters during the transition from ohmic to ICRH operation. Additionally, under ICRH conditions, a tenfold enhancement in erosion is observed when comparing RF sheath effects to purely thermal sheath conditions. High-charge-state oxygen ions ($\mathrm{O}$ 6+ and above) are identified as the dominant contributors to tungsten sputtering. To validate the model, a synthetic diagnostic tool based on inverse photon efficiency (S/XB coefficients) from the ColRadPy collisional-radiative model enables direct comparison with spectroscopic measurements. Model predictions using a plasma composition of 1% oxygen and 99% deuterium show good agreement with observed W − I (400.9 nm) emission for discharge #57877, supporting the accuracy of the STRIPE framework. This study focuses specifically on gross erosion calculations to demonstrate STRIPE’s capabilities. Future extensions of this work will incorporate net erosion, re-deposition, self-sputtering effects, and whole-device modeling of sputtered tungsten impurity transport. STRIPE is also being applied to other RF-heated linear and toroidal devices, offering valuable insights for antenna design, impurity control, and performance optimization in next-generation fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗