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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Persistent Medium-Range Order and Anomalous Liquid Properties of Al 1-xCux Alloys

The development of short-to-medium-range order in atomic arrangements has generally been observed in noncrystalline solid systems such as metallic glasses. Whether such medium-range order (MRO) can exist in materials at well above their melting or glass-transition temperature has been a long-standing important scientific issue. Here, using ab initio molecular dynamics simulations, we show that a novel, persistent MRO exists in liquid Al-Cu alloys near the composition of CuAl{sub 3}. The correlated atomic motions associated with the MRO give rise to a substantially enhanced viscosity in the vicinity of the composition. The component of the MRO liquid state gradually decreases with increasing temperature, and it disappears above a crossover temperature T{sub LLC}. The continuous liquid-liquid crossover through a percolationlike transition leads to a pronounced heat capacity peak at T{sub LLC}.

14 SOLAR ENERGY↗
NASA NTRS1990

Life cycles of persistent anomalies. II - The development of persistent negative height anomalies over the North Pacific Ocean

Consideration is given to the potential sources for the development of cases defined by strong and persistent negative height anomalies over the central North Pacific. The analyses of Dole (1986) are extended by providing a more complete synoptic description of the developments and additional diagnostic analysis to identify dynamical mechanisms responsible for the developments. The synoptic characteristics of the developments are reviewed and the barotropic and baroclinic processes of the developments are analyzed. The reproducibility and representativeness of the results are examined. The observed characteristics suggest that the large-scale flow anomalies develop as a result of an instability of three-dimensional wintertime mean flow.

Dole, Randall M.↗
DOE OSTI2020

Explaining persistent incomplete mixing in multicomponent reactive transport with Eulerian stochastic model

We present an Eulerian stochastic advection–diffusion–reaction (SADR) model and use it to explain incomplete mixing typically observed in transport experiments with bimolecular reactions. Unlike traditional advection– dispersion–reaction (ADR) models, the SADR model describes mechanical and diffusive mixing as two separate processes. In the SADR model, mechanical mixing is driven by random advective velocity whose variance is given by the coefficient of mechanical dispersion. The diffusive mixing is modeled as a Fickian diffusion process with the effective diffusion coefficient. We demonstrate that the sum of the two coefficients is equal to the dispersion coefficient, but only the effective diffusion coefficient contributes to the mixing-controlled reactions. We use experimental results of Gramling et al. * * to show that for transport and bimolecular reactions in porous media, the SADR model is significantly more accurate than the ADR model, which overestimates the concentration of the reaction product by as much as 60%. We also show that the SADR model predicts an experimentally observed bell- shaped spatial distribution of the reactive product concentration, while the ADR model results in a concentration distribution with an unphysical kink.

Bimolecular reactions, incomplete mixing, Stochast↗
DOE OSTI2014

Persistent Subdiffusive Proton Transport in Perfluorosulfonic Acid Membranes

Proton transport (PT) in solutions of small amphiphiles in water has previously been shown to be subdiffusive for long times. The present study analyzes simulations of hydrated perfluorosulfonic acid (PFSA) membranes in order to determine whether PT is also subdiffusive in these important amphiphilic systems. Here, we show that PT is indeed subdiffusive for several hundred picoseconds for all hydration levels examined, and the subdiffusive behavior is highly dependent on water concentration. We also investigate the caging of the excess proton using a recently developed technique and show that the excess proton exhibits caging effects up to at least 1 ns in PFSA systems. In order to fully characterize the long-time behavior of PT in PFSAs, these results demonstrate that multiple nanosecond trajectories are needed, well beyond the current capabilities of ab initio molecular dynamics.

25 ENERGY STORAGE↗
DOE OSTI2012

Persistence of soil organic matter in eroding versus depositional landform positions

The terrestrial biosphere is dominated by sloping landscapes [Staub and Rosenzweig, 1986] where biogeochemical cycling of essential elements is controlled by interaction of geomorphic, pedogenic, and ecological processes that shape them. Recent studies have highlighted the important role of soil erosion in dynamics of soil organic matter (SOM) [Berhe et al., 2007, 2008; Boix-Fayos et al., 2009; Harden et al.,1999; Smith et al., 2001; Stallard, 1998a; Van Oost et al., 2007]. However, most process level studies of SOM cycling are dominantly located on nonsloping sites that experience minimal soil erosion and deposition and thus they fail to capture the influence of topography on SOM dynamics.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2014

Interaction of light with the ZnO surface: Photon induced oxygen “breathing,” oxygen vacancies, persistent photoconductivity, and persistent photovoltage

ZnO surfaces adsorb oxygen in the dark and emit CO{sub 2} when exposed to white light, reminiscent of the lungs of living creatures. We find that this exchange of oxygen with the ambient affects the integrity of the ZnO surface. Thus, it forms a basis for several interesting surface phenomena in ZnO, such as photoconductivity, photovoltage, and gas sensing, and has a role in ZnO electrical conduction. Using x-ray photoelectron spectroscopy on ZnO nanowires, we observed a decomposition of ZnO under white light and formation of oxygen-depleted surface, which explains photoconductivity by the electron donation of oxygen vacancies. Our findings suggest that the observed decomposition of the ZnO lattice may only take place due to photon-induced reduction of ZnO by carbon containing molecules (or carbo-photonic reduction), possibly from the ambient gas, accounting in a consistent way for both the reduced demands on the energy required for decomposition and for the observed emission of lattice oxygen in the form of CO{sub 2}. The formation of oxygen-vacancy rich surface is suggested to induce surface delta doping, causing accumulation of electrons at the surface, which accounts for both the increase in conductivity and the flattening of the energy bands. Using surface photovoltage spectroscopy in ultra high vacuum, we monitored changes in the deep level spectrum. We observe a wide optical transition from a deep acceptor to the conduction band, which energy position coincides with the position of the so called “green luminescence” in ZnO. This green transition disappears with the formation of surface oxygen vacancies. Since the oxygen vacancies are donors, while the green transition involves surface acceptors, the results suggest that the initial emission of oxygen originates at the defect sites of the latter, thereby eliminating each other. This suggests that the green transition originates at surface Zn vacancy acceptors. Removing an oxygen atom from a Zn vacancy completes the vacancy to become a full ZnO molecule vacancy, which does not produce deep levels. Our results explain why ZnO finds use as an electrical detector for oxygen and for carbon containing gas molecules. They may also shed new light on photocatalytic uses of ZnO. It is suggested that similar surface phenomena may affect other semiconducting oxides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Far infrared edge photoresponse and persistent edge transport in an inverted InAs/GaSb heterostructure

Direct current (DC) transport and far infrared photoresponse were studied an InAs/GaSb double quantum well with an inverted band structure. The DC transport depends systematically upon the DC bias configuration and operating temperature. Surprisingly, it reveals robust edge conduction despite prevalent bulk transport in our device of macroscopic size. Under 180 GHz far infrared illumination at oblique incidence, we measured a strong photovoltaic response. We conclude that quantum spin Hall edge transport produces the observed transverse photovoltages. Overall, our experimental results support a hypothesis that the photoresponse arises from direct coupling of the incident radiation field to edge states.

Dyer, G. C.↗
DOE OSTI2014

X-ray-induced persistent photoconductivity in vanadium dioxide

The resistivity of vanadium dioxide (VO2) decreased by over one order of magnitude upon localized illumination with x rays at room temperature. Despite this reduction, the structure remained in the monoclinic phase and had no signature of the high-temperature tetragonal phase that is usually associated with the lower resistance. Once illumination ceased, relaxation to the insulating state took tens of hours near room temperature. However, a full recovery of the insulating state was achieved within minutes by thermal cycling. We show that this behavior is consistent with random local-potential fluctuations and random distribution of discrete recombination sites used to model residual photoconductivity.

Dietze, S. H.↗