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At least 1,549 records · Page 86

Ultrafast formation of topological defects in a two-dimensional charge density wave

Topological defects play a central role in dynamical systems undergoing a non-adiabatic transition. In solids, topological defects as a result of femtosecond laser excitation have attracted increasing interest not only because they are key to understanding phase transitions but also because they can generate a variety of hidden orders that are not accessible in thermal equilibrium. Despite the common occurrence of these defects in a non-equilibrium system, the fundamental limit on how fast they can emerge in solids and the generic pathway for defect creation at such fast timescales have remained open questions. Here we apply ultrafast electron diffraction to study the reciprocal-space signatures of transient defects in a two-dimensional charge density wave, where simultaneous measurements of both defect and phonon dynamics yield a microscopic view of defect formation in the femtosecond regime. We find that one-dimensional domain walls are generated well within 1 ps following photoexcitation, during which the defect growth is not dictated by the amplitude of the order parameter but is mediated by a non-thermal population of longitudinal optical phonons. In conclusion, our work provides a framework for the ultrafast engineering of topological defects that are coupled to specific collective modes, which will prove useful for the dynamical control of non-equilibrium phases in correlated materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Universal scaling of weak localization in graphene due to bias-induced dispersion decoherence

The differential conductance of graphene is shown to exhibit a zero-bias anomaly at low temperatures, arising from a suppression of the quantum corrections due to weak localization and electron interactions. A simple rescaling of these data, free of any adjustable parameters, shows that this anomaly exhibits a universal, temperature- (T) independent form. According to this, the differential conductance is approximately constant at small voltages (V < kBT/e), while at larger voltages it increases logarithmically with the applied bias. For theoretical insight into the origins of this behaviour, which is inconsistent with electron heating, we formulate a model for weak-localization in the presence of nonequilibrium transport. According to this model, the applied voltage causes unavoidable dispersion decoherence, which arises as diffusing electron partial waves, with a spread of energies defined by the value of the applied voltage, gradually decohere with one another as they diffuse through the system. The decoherence yields a universal scaling of the conductance as a function of eV/kBT, with a logarithmic variation for eV/kBT > 1, variations in accordance with the results of experiment. Our theoretical description of nonequilibrium transport in the presence of this source of decoherence exhibits strong similarities with the results of experiment, including the aforementioned rescaling of the conductance and its logarithmic variation as a function of the applied voltage.

42 ENGINEERING↗

Electrodeposition and analysis of thick bismuth films

Due to its unique physical and chemical properties, bismuth is an attractive candidate for a wide range of applications such as battery anodes, radiation shielding, and semiconductors, to name a few. This work presents the electrodeposition of mechanically stable and homogenous bismuth films at micron-scale thicknesses. A simple one-step electrodeposition process using either a pulse/reverse or direct current source yielded thick, homogenous, and mechanically stable bismuth films. Morphology, electrochemical behavior, adhesion, and mechanical stability of bismuth coatings plated with varying parameters were characterized via optical profilometry, cyclic voltammetry, electron microscopy, and tribology. Scratch testing on thick electroplated coatings (> 100 µm) revealed similar wear resistance properties between the pulse/reverse plated and direct current electroplated films. This study presents a versatile bismuth electroplating process with the possibility to replace lead in radiation shields with an inexpensive, non-toxic metal, or to make industrially relevant electrocatalytic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Influence of crystalline order and defects on the absolute work functions and electron affinities of TiO2- and SrO-terminated n-SrTiO3(001)

We establish how the detailed structure and composition of the terminal layer of n-SrTiO3 (001) determine key surface electronic properties. We have measured and calculated from first principles the absolute work functions and electron affinities of bulk SrNb0.01Ti0.99O3(001) with both TiO2 and nominally SrO terminal planes. The match between theory and experiment is excellent at 4.6(1) eV for the TiO2 termination if an ideal, bulk-truncated surface structure is assumed. In contrast, the ideal SrO-termination leads to a calculated work function that is ~1.3 eV lower than the experimental value of 3.6(1) eV. We show that this discrepancy is associated with defects on the SrO surface that serve as electron scavengers. These defects deplete the concentration of itinerant electrons in the subsurface region and increase the negative charge density on the surface, thus increasing the work function. Several different surface defect configurations were modeled; the ones that yield the best agreement with experiment involve Sr vacancies in the terminal layer along with OH–/H– pairs or O22– occupying anion sites adjacent to the Sr vacancies.

Chambers, Scott A.↗

Theoretical studies of ionic and atomic impact phenomena

An absorbing sphere model based on the Landau-Zener method was developed for calculating the energy dependence of the total cross sections for the reaction A(+) + B(-) yields A star + B + Delta E, in which A or B may be atomic or molecular species. It was found that the cross sections were highly dependent on the electron detachment energy of B(-). The ionization total cross sections for Ne star (2p5 3s 3P) + Ar were calculated over a large energy range and compared with experiments.

Olson, R. E.↗

The photodetachment cross-section and threshold energy of negative ions in carbon dioxide

Threshold energy and sunlight photodetachment measurements on negative carbon dioxide ions, using a 2.5 kw light pressure xenon lamp, show that: (1) Electron affinity of CO3(+) is larger than 2.7 e.V. and that an isomeric form of CO3(+) is likely an error; (2) The photodetachment cross section of CO3(-) will roughly be like a step function across the range of 4250 to 2500A, having its threshold energy at 4250A; (3) Sunlight photodetachment rate for CO3(-) is probably much smaller than elsewhere reported; and (4) The probability of having photodetached electrons re-attach to form negative ions is less than 1%. Mass identifying drift tube tests confirm that the slower ion is CO3(-), formed through the O(-) + 2CO2 yields CO3(-) + CO2 reaction.

Helmy, E. M.↗

Recent measurements concerning uranium hexafluoride-electron collision processes

Scattering of electrons by UF6 molecules was studied at impact energies ranging from 5 to 100 eV and momentum transfer, elastic and inelastic scattering cross sections were determined. The measurements also yielded spectroscopic information which made possible to extend the optical absorption cross sections from 2000 angstroms to 435 angstroms. It was found that UF6 is a very strong absorber in the vacuum UV region. No transitions were found to lie below the onset of the optically detected 3.0 eV feature.

Trajmar, S.↗

Extreme ultraviolet observations from the Voyager 2 encounter with Saturn

Combined analysis of helium (584 A) airglow and the atmospheric occultations of the star delta Scorpii imply a vertical mixing parameter in Saturn's upper atmosphere of K (eddy diffusion coefficient) of approximately 8 x 10 to the 7th sq cm per second, an order of magnitude more vigorous than mixing in Jupiter's upper atmosphere. Atmospheric H2 band absorption of starlight yields a preliminary temperature of 400 K in the exosphere and a temperature near the homopause of 200 K. Certain auroral emissions can be fully explained in terms of electron impact on H2, and auroral morphology suggests a link between the aurora and the Saturn kilometric radiation. Absolute optical depths have been determined for the entire C ring and parts of the A and B rings. A new eccentric ringlet has been detected in the C ring. The extreme ultraviolet reflectance of the rings is fairly uniform at 3.5 to 5 percent. Collisions may control the distribution of H in Titan's H torus, which has a total vertical extent of about 14 Saturn radii normal to the orbit plane.

Sandel, B. R.↗

Low-luminosity accretion onto magnetized neutron stars

The behavior of matter accreting at low rates (M is less than 10 to the 16th g/s) onto the polar caps of a highly magnetized (B = 10 to the 12th G) neutron star is investigated. Flow solutions are found for the case in which the matter undergoes a stationary collisionless shock. It is found that the cyclotron emission is the dominant energy loss mechanism and can yield continuum spectra resembling those observed from X-ray pulsars. A number of relations among the accretion rate, the surface magnetic field, the shock height, and the characteristic electron and ion temperatures are obtained. For magnetic fields greater than 10 to the 12th G, typical values of KTe are several times the cyclotron energy at the surface of the neutron star. When the field drops below 10 to the 12th G, the electrons become very hot and emit gamma-rays.

Langer, S. H.↗

Solar silicon from directional solidification of MG silicon produced via the silicon carbide route

A process of metallurgical grade (MG) silicon production is presented which appears particularly suitable for photovoltaic (PV) applications. The MG silicon is prepared in a 240 KVA, three electrode submerged arc furnace, starting from high grade quartz and high purity silicon carbide. The silicon smelted from the arc furnace was shown to be sufficiently pure to be directionally solidified to 10 to 15 kg. After grinding and acid leaching, had a material yield larger than 90%. With a MG silicon feedstock containing 3 ppmw B, 290 ppmw Fe, 190 ppmw Ti, and 170 ppmw Al, blended with 50% of off grade electronic grade (EG) silicon to reconduct the boron content to a concentration acceptable for solar cell fabrication, the 99% of deep level impurities were concentrated in the last 5% of the ingot. Quite remarkably this material has OCV values higher tham 540 mV and no appreciable shorts due to SiC particles.

Rustioni, M.↗

Extended fine structures in the electron energy loss spectrum of InAs

The possibility of using electron energy loss fine structure (EELFS) for the characterization of thin pseudomorphic quantum wells of InAs and GaAs(100) is investigated. It is shown that the EELFS technique can yield reliable radial distribution functions for bulk InAs, provided beam-induced sample degradation is controlled stringently. Additional improvements in the data collection procedures, including better control of the sample condition, are required as well as more detailed work on separating contributions from multiple edges in the data analysis.

Schowengerdt, F. D.↗

Theoretical study of hole initiated impact ionization in bulk silicon and GaAs using a wave-vector-dependent numerical transition rate formulation within an ensemble Monte Carlo calculation

In this paper, calculations of the hole initiated interband impact ionization rate in bulk silicon and GaAs are presented based on an ensemble Monte Carlo simulation with the inclusion of a wave-vector-dependent numerical transition rate formulation. The ionization transition rate is determined for each of the three valence bands, heavy, light, and split-off, using Fermi's golden rule with a two-body, screened Coulomb interaction. The dielectric function used within the calculation is assumed to be wave-vector-dependent. Calculations of the field-dependent impact ionization rate as well as the quantum yield are presented. It is found from both the quantum yield results and examination of the hole distribution function that the effective threshold energy for hole initiated impact ionization is relatively soft, similar to that predicted for the corresponding electron initiated ionization events occur more frequently than either heavy or split-offf initiated ionization events in bulk silicon over the applied electric field strengths examined here, 250-500 kV/cm. Conversely,in GaAs, the vast majority of hole initated ionization events originate from holes within the split-off band.

Oguzman, Ismail H.↗

Fabrication of Pop-up Detector Arrays on Si Wafers

High sensitivity is a basic requirement for a new generation of thermal detectors. To meet the requirement, close-packed, two-dimensional silicon detector arrays have been developed in NASA Goddard Space Flight Center. The goal of the task is to fabricate detector arrays configured with thermal detectors such as infrared bolometers and x-ray calorimeters to use in space fliGht missions. This paper focuses on the fabrication and the mechanical testing of detector arrays in a 0.2 mm pixel size, the smallest pop-up detectors being developed so far. These array structures, nicknamed "PUDS" for "Pop-Up Detectors", are fabricated on I pm thick, single-crystal, silicon membranes. Their designs have been refined so we can utilize the flexibility of thin silicon films by actually folding the silicon membranes to 90 degrees in order to obtain close-packed two-dimensional arrays. The PUD elements consist of a detector platform and two legs for mechanical support while also serving as electrical and thermal paths. Torsion bars and cantilevers connecting the detector platform to the legs provide additional flexures for strain relief. Using micro-electromechanical structure (MEMS) fabrication techniques, including photolithography, anisotropic chemical etching, reactive-ion etching, and laser dicing, we have fabricated PLTD detector arrays of fourteen designs with a variation of four parameters including cantilever length, torsion bar length and width, and leg length. Folding tests were conducted to test mechanical stress distribution for the array structures. We obtained folding yields and selected optimum design parameters to reach minimal stress levels. Computer simulation was also employed to verify mechanical behaviors of PUDs in the folding process. In addition, scanning electron microscopy was utilized to examine the flatness of detectors and the alignment of detector pixels in arrays. The fabrication of thermistors and heaters on the pop-up detectors is under way, preparing us for the next step of the experiment, the thermal test.

Li, Mary J.↗

Syntrophus aciditrophicus sp. nov., a new anaerobic bacterium that degrades fatty acids and benzoate in syntrophic association with hydrogen-using microorganisms

Strain SBT is a new, strictly anaerobic, gram-negative, nonmotile, non-sporeforming, rod-shaped bacterium that degrades benzoate and certain fatty acids in syntrophic association with hydrogen/formate-using microorganisms. Strain SBT produced approximately 3 mol of acetate and 0.6 mol of methane per mol of benzoate in coculture with Methanospirillum hungatei strain JF1. Saturated fatty acids, some unsaturated fatty acids, and methyl esters of butyrate and hexanoate also supported growth of strain SBT in coculture with Desulfovibrio strain G11. Strain SBT grew in pure culture with crotonate, producing acetate, butyrate, caproate, and hydrogen. The molar growth yield was 17 +/- 1 g cell dry mass per mol of crotonate. Strain SBT did not grow with fumarate, iron(III), polysulfide, or oxyanions of sulfur or nitrogen as electron acceptors with benzoate as the electron donor. The DNA base composition of strain SBT was 43.1 mol% G+C. Analysis of the 16 S rRNA gene sequence placed strain SBT in the delta-subdivision of the Proteobacteria, with sulfate-reducing bacteria. Strain SBT was most closely related to members of the genus Syntrophus. The clear phenotypic and genotypic differences between strain SBT and the two described species in the genus Syntrophus justify the formation of a new species, Syntrophus aciditrophicus.

Non-NASA Center↗

Formation energy puzzle in intermetallic alloys: Random phase approximation fails to predict accurate formation energies

We performed density functional calculations to estimate the formation energies of intermetallic alloys. We used two semilocal approximations, the generalized gradient approximation (GGA) by Perdew-Burke- Ernzerhof (PBE) and the strongly constrained and appropriately normed (SCAN) meta-GGA. In addition, we utilized two nonlocal DFT functionals, the hybrid HSE06, and the state-of-the-art random phase approximation (RPA). The nonlocal functionals such as HSE06 and RPA yield accurate formation energies of binary alloys with completely-filled d-band metals, where semilocal functionals underperform. The accuracy at the nonlocal functionals is greatly reduced when a partially-filled d-band metal is present in an alloy, while PBE-GGA outperforms in these cases. We show that the accurate prediction of formation energies by any DFT method depends on its ability to predict the accurate electronic properties, e.g., valence d-band contribution to the density of states (DOS). The SCAN meta-GGA often corrects the PBE-DOS, however, it does not provide accurate formation energies compared to PBE. This is assumed to be due to the lack of proper error cancellation that should be expected due to the similar bulk nature of both alloys and their constituents, which may improve with the modification of meta-GGA ingredients. RPA yields too negative formation energies of alloys with partially-filled d-band metals. RPA results can be corrected by restoring the exchange-correlation kernel, thereby improving the short-range electron-electron correlation in metallic densities.

36 MATERIALS SCIENCE↗

Gamma Radiation-Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling

Acetohydroxamic acid (AHA) has been proposed for inclusion in advanced, single-cycle, used nuclear fuel reprocessing solvent systems for the reduction and complexation of plutonium and neptunium ions. For this application, a detailed description of the degradation of AHA in dilute aqueous nitric acid is required. To this end, we present a comprehensive, multiscale computer model for the coupled radiolytic and hydrolytic degradation of AHA in aqueous sodium nitrate and nitric acid solutions. Rate coefficients for the reactions of AHA and HA with the oxidizing nitrate radical were measured for the first time using pulsed electron radiolysis and used as inputs in the kinetic model. The computer model results are validated by comparison to experimental data from steady state gamma irradiations, for which the agreement is excellent. Here, the presented model accurately predicts the yields of the major degradation products of AHA: acetic acid, hydroxylamine, nitrous oxide, and molecular hydrogen.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Model-based iterative reconstruction with adaptive regularization for artifact reduction in electron tomography

Obtaining high-quality 3D reconstructions from electron tomography of crystalline particles embedded in lighter support elements is crucial for various material systems such as catalysts for fuel cell applications. However, significant challenges arise due to the limited tilt range, sparse and low signal-to-noise ratio of the measurements. In addition, small metal particles can cause strong streaking and shading artifacts in the 3D reconstructions when using conventional reconstruction algorithms due to the presence of Bragg diffraction and the large scattering cross-section difference between the materials of the particles and the background support regions. These artifacts lead to errors in the downstream characterization affecting extraction of critical features such as the size of the metal particles, their distribution and the volume of the lighter support regions. In this paper, we present a two-stage algorithm based on metal artifact reduction, utilizing model-based iterative reconstruction methods with adaptive adjustment of regularization parameters. Our approach yields high-quality 3D reconstructions compared to traditional algorithms, accurately capturing both the metal particles as well as the background support. We demonstrate the effectiveness of our algorithm through simulated and experimental bright-field electron tomography data, showing significant improvements in reconstruction quality compared to traditional methods.

97 MATHEMATICS AND COMPUTING↗

Simulated conditions of microgravity suppress progesterone production by luteal cells of the pregnant rat

The purpose of this study was to assess whether simulated conditions of microgravity induce changes in the production of progesterone by luteal cells of the pregnant rat ovary using an in vitro model system. The microgravity environment was simulated using either a high aspect ratio vessel (HARV) bioreactor with free fall or a clinostat without free fall of cells. A mixed population of luteal cells isolated from the corpora lutea of day 8 pregnant rats was attached to cytodex microcarrier beads (cytodex 3). These anchorage dependent cells were placed in equal numbers in the HARV or a spinner flask control vessel in culture conditions. It was found that HARV significantly reduced the daily production of progesterone from day 1 through day 8 compared to controls. Scanning electron microscopy showed that cells attached to the microcarrier beads throughout the duration of the experiment in both types of culture vessels. Cells cultured in chamber slide flasks and placed in a clinostat yielded similar results when compared to those in the HARV. Also, when they were stained by Oil Red-O for lipid droplets, the clinostat flasks showed a larger number of stained cells compared to control flasks at 48 h. Further, the relative amount of Oil Red-O staining per milligram of protein was found to be higher in the clinostat than in the control cells at 48 h. It is speculated that the increase in the level of lipid content in cells subjected to simulated conditions of microgravity may be due to a disruption in cholesterol transport and/or lesions in the steroidogenic pathway leading to a fall in the synthesis of progesterone. Additionally, the fall in progesterone in simulated conditions of microgravity could be due to apoptosis of luteal cells.

Progesterone/metabolism↗