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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Manganese nanoclusters and MnSi{sub {approx}1.7} nanowires formed on Si(110): A comparative x-ray photoelectron spectroscopy study

The growth of Mn on a Si(110) surface at room temperature (RT) and 550 Degree-Sign C has been investigated by scanning tunneling spectroscopy (STM) and X-ray photoelectron spectroscopy (XPS). STM observation shows that the growth at 550 Degree-Sign C results in the formation of nanowires (NWs), while that at RT produces only nanoclusters. The Mn 2p XPS spectra unambiguously reveal that the NWs are composed of MnSi{sub {approx}1.7} and the nanoclusters are composed of Mn. Curve-fitting analysis of the spectra shows that 64.9% of the NWs were oxidized due to atmospheric exposure during sample transfer, while the Mn nanoclusters were completely oxidized under the same conditions. This fact indicates that the MnSi{sub {approx}1.7} NWs have better oxidation resistance than the Mn clusters, which can be attributed to the protection effect of the SiO{sub 2} layer formed on the NWs and the smaller surface to volume ratio of the NWs comparing with the clusters. The binding energy of Mn 2p for the NWs exhibits a negative shift of {approx}0.5 eV with respect to the Mn metallic state, which is similar to the silicide state of earlier transition metals Ti and Cr, but different from that of later transition metals Fe and Ni. This negative shift can be attributed to the contribution of Madelung potential.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Comparing linear ion-temperature-gradient-driven mode stability of the National Compact Stellarator Experiment and a shaped tokamak

One metric for comparing confinement properties of different magnetic fusion energy configurations is the linear critical gradient of drift wave modes. The critical gradient scale length determines the ratio of the core to pedestal temperature when a plasma is limited to marginal stability in the plasma core. The gyrokinetic turbulence code GS2 was used to calculate critical temperature gradients for the linear, collisionless ion temperature gradient (ITG) mode in the National Compact Stellarator Experiment (NCSX) and a prototypical shaped tokamak, based on the profiles of a JET H-mode shot and the stronger shaping of ARIES-AT. While a concern was that the narrow cross section of NCSX at some toroidal locations would result in steep gradients that drive instabilities more easily, it is found that other stabilizing effects of the stellarator configuration offset this so that the normalized critical gradients for NCSX are competitive with or even better than for the tokamak. For the adiabatic ITG mode, NCSX and the tokamak had similar adiabatic ITG mode critical gradients, although beyond marginal stability, NCSX had larger growth rates. However, for the kinetic ITG mode, NCSX had a higher critical gradient and lower growth rates until a/L{sub T} Almost-Equal-To 1.5 a/L{sub T,crit}, when it surpassed the tokamak's. A discussion of the results presented with respect to a/L{sub T} vs. R/L{sub T} is included.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

A comparative study of electronic and structural properties of polycrystalline and epitaxial magnetron-sputtered ZnO:Al and Zn{sub 1-x}Mg{sub x}O:Al Films—Origin of the grain barrier traps

Homoepitaxial and heteroepitaxial ZnO, ZnO:Al, and Zn{sub 1-x}Mg{sub x}O:Al films have been grown by magnetron sputtering from ceramic targets at substrate temperatures between 200 °C and 500 °C. We studied the relation between the electronic transport and structural properties for the epitaxially grown films and compared it to the properties of polycrystalline films by means of X-ray diffraction, transmission electron microscopy and optical reflectance and transmittance measurements. The results show that the epitaxial growth of ZnO:Al and Zn{sub 1-x}Mg{sub x}O:Al thin films, which has been observed for nearly all films prepared on single crystalline substrates, will not significantly improve the electronic transport properties in comparison to polycrystalline films unless the grain boundaries are eliminated completely. The grain boundary defect densities of about 3 × 10{sup 13} cm{sup −2} are nearly independent on the structural quality of the different polycrystalline, hetero- and homoepitaxial films. This clearly proves that the grain boundary defects are not caused by crystallographic defects, but, most probably, by the dopant aluminium.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Shock-induced termination of reentrant cardiac arrhythmias: Comparing monophasic and biphasic shock protocols

In this article, we compare quantitatively the efficiency of three different protocols commonly used in commercial defibrillators. These are based on monophasic and both symmetric and asymmetric biphasic shocks. A numerical one–dimensional model of cardiac tissue using the bidomain formulation is used in order to test the different protocols. In particular, we performed a total of 4.8 × 10{sup 6} simulations by varying shock waveform, shock energy, initial conditions, and heterogeneity in internal electrical conductivity. Whenever the shock successfully removed the reentrant dynamics in the tissue, we classified the mechanism. The analysis of the numerical data shows that biphasic shocks are significantly more efficient (by about 25%) than the corresponding monophasic ones. We determine that the increase in efficiency of the biphasic shocks can be explained by the higher proportion of newly excited tissue through the mechanism of direct activation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Comparative analysis of continuous-wave surface-plasma negative ion sources with various discharge geometry

Negative ion extraction from continuous-wave (CW) magnetron and semiplanotron discharges was studied and it was compared with that for the source with Penning electrode geometry. The CW negative ion beam up current to 13 mA was extracted from the magnetron source with emission aperture of 3.5 mm in diameter, while the beam with current up to 8 mA was obtained from the semiplanotron source modification. Characteristics of CW magnetron and semiplanotron sources are presented and analyzed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

Nuclear matrix elements for 0νβ{sup −}β{sup −} decays: Comparative analysis of the QRPA, shell model and IBM predictions

In this work we report on general properties of the nuclear matrix elements involved in the neutrinoless double β{sup −} decays (0νβ{sup −}β{sup −} decays) of several nuclei. A summary of the values of the NMEs calculated along the years by the Jyväskylä-La Plata collaboration is presented. These NMEs, calculated in the framework of the quasiparticle random phase approximation (QRPA), are compared with those of the other available calculations, like the Shell Model (ISM) and the interacting boson model (IBA-2)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Conducting and insulating LaAlO{sub 3}/SrTiO{sub 3} interfaces: A comparative surface photovoltage investigation

Surface photovoltage (SPV) spectroscopy, which is a versatile method to analyze the energetic distribution of electronic defect states at surfaces and interfaces of wide-bandgap semiconductor (hetero-)structures, is applied to comparatively investigate heterostructures made of 5-unit-cell-thick LaAlO{sub 3} films grown either on TiO{sub 2}- or on SrO-terminated SrTiO{sub 3}. As shown in a number of experimental and theoretical investigations in the past, these two interfaces exhibit dramatically different properties with the first being conducting and the second insulating. Our present SPV investigation reveals clearly distinguishable interface defect state distributions for both configurations when interpreted within the framework of a classical semiconductor band scheme. Furthermore, bare SrTiO{sub 3} crystals with TiO{sub 2} or mixed SrO/TiO{sub 2} terminations show similar SPV spectra and transients as do LaAlO{sub 3}-covered samples with the respective termination of the SrTiO{sub 3} substrate. This is in accordance with a number of recent works that stress the decisive role of SrTiO{sub 3} and the minor role of LaAlO{sub 3} with respect to the electronic interface properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Transport and dielectric properties of water and the influence of coarse-graining: Comparing BMW, SPC/E, and TIP3P models

Long-term molecular dynamics simulations are used to compare the single particle dipole reorientation time, the diffusion constant, the viscosity, and the frequency-dependent dielectric constant of the coarse-grained big multipole water (BMW) model to two common atomistic three-point water models, SPC/E and TIP3P. In particular, the agreement between the calculated viscosity of BMW and the experimental viscosity of water is satisfactory. We also discuss contradictory values for the static dielectric properties reported in the literature. Employing molecular hydrodynamics, we show that the viscosity can be computed from single particle dynamics, circumventing the slow convergence of the standard approaches. Furthermore, our data indicate that the Kivelson relation connecting single particle and collective reorientation time holds true for all systems investigated. Since simulations with coarse-grained force fields often employ extremely large time steps, we also investigate the influence of time step on dynamical properties. We observe a systematic acceleration of system dynamics when increasing the time step. Carefully monitoring energy/temperature conservation is found to be a sufficient criterion for the reliable calculation of dynamical properties. By contrast, recommended criteria based on the ratio of fluctuations of total vs. kinetic energy are not sensitive enough.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Comparative study of radiation emission without and with target in a 2.2 kJ plasma focus device

The radiation emission in a 2.2 kJ Mather-type dense plasma focus device is investigated using a five channel BPX65 PIN diode spectrometer. Estimated X-ray associated with the hollow anode without and with target in Argon gas medium is compared. At optimum conditions, the radiation emission from the system is found to be strongly influenced with target in hollow anode and the filling gas pressure. The maximum X-ray yield in 4π sr was obtained in case of hollow anode in argon gas medium with target 'Lead' due to interaction of electron beam. Results indicated that an appropriate design of hollow anode with target could enhance the radiation emission by more intense interaction of expected electron beam with target. The outcomes are helpful in designing a plasma focus with enhanced X-ray radiation with improved shot to shot reproducibility in plasma focus device.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Induced lattice strain in epitaxial Fe-based superconducting films on CaF{sub 2} substrates: A comparative study of the microstructures of SmFeAs(O,F), Ba(Fe,Co){sub 2}As{sub 2}, and FeTe{sub 0.5}Se{sub 0.5}

The microstructures of SmFeAs(O,F), Ba(Fe,Co){sub 2}As{sub 2}, and FeTe{sub 0.5}Se{sub 0.5} prepared on CaF{sub 2} substrates were investigated using transmission electron microscopy. The SmFeAs(O,F)/CaF{sub 2} interface is steep, without a disordered layer. By contrast, a chemical reaction occurs at the interface in the cases of Ba(Fe,Co){sub 2}As{sub 2} and FeTe{sub 0.5}Se{sub 0.5}. The reaction layers are located on opposite sides of the interface for Ba(Fe,Co){sub 2}As{sub 2} and FeTe{sub 0.5}Se{sub 0.5}. We found that the lattice distortion of the three superconducting films on the CaF{sub 2} substrates enhances the T{sub C} values compared with films prepared on oxide substrates. The origin of this lattice deformation varies depending on the superconducting material.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Comparative study of field-dependent carrier dynamics and emission kinetics of InGaN/GaN light-emitting diodes grown on (112{sup ¯}2) semipolar versus (0001) polar planes

The characteristics of electroluminescence (EL) and photoluminescence (PL) emission from GaN light-emitting diodes (LEDs) grown on (112{sup ¯}2) semipolar plane and (0001) polar plane have been comparatively investigated. Through different bias-dependent shifting trends observed from the PL and time-resolved PL spectra (TRPL) for the two types of LEDs, the carrier dynamics within the multiple quantum wells (MQWs) region is systematically analyzed and the distinct field-dependent emission kinetics are revealed. Moreover, the polarization induced internal electric field has been deduced for each of the LEDs. The relatively stable emission behavior observed in the semipolar LED is attributed to the smaller polarization induced internal electric field. The study provides meaningful insight for the design of quantum well (QW) structures with high radiative recombination rates.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A comparative study of conventionally sintered and microwave sintered nickel zinc ferrite

For the present work, nickel zinc ferrite having compositional formula Ni{sub 0.8}Zn{sub 0.2}Fe{sub 2}O{sub 4} was synthesized by conventional solid state method and sintered in conventional and microwave furnaces. Pellets were sintered with very short soaking time of 10 min at 1150 °C in microwave furnace whereas 4 hrs of soaking time was selected for conventional sintering at 1200 °C. Phase formation was confirmed by X-ray diffraction analysis technique. Scanning electron micrographs were taken for microstructural study. Dielectric properties were studied as a function of temperature. To study magnetic behavior, M-H hysteresis loops were recorded for both samples. It is observed that microwave sintered sample could obtain comparable properties to the conventionally sintered one in lesser soaking time at lower sintering temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A comparative study of structural and optical properties of Cu{sub 2}ZnSnS{sub 4} nanocrystals for photovotaic applications

The Cu{sub 2}ZnSnS{sub 4} (CZTS) nanocrystals were successfully synthesized by hot injection method. The synthesized nanocrystals were characterized by the X-ray diffraction (XRD) and UV–visible spectrometer. X-ray diffraction studies reveal polycrystalline films exhibiting kesterite structures with preferential orientation along (112) direction. From UV studies revealed that the CZTS nanocrystals band gap was tuned between 1.6 eV (for 1 hour, stirring) and 1.4 eV (for 2 hours stirrer) and its compared, structural and optical properties of CZTS by density functional theory based on Wien2K (FP-LAPW) simulation employing a combined Tran-Blaha modified Becke-Johnson (TB-MBJ) potential with scissor corrections. From this calculation, it was found that the compound is in direct nature. The estimated lattice constant and bandgap value is in good agreement with earlier reported results. The optical band-gap energy of the CZTS nanocrystals is 1.4 eV, which is quite close to the optimum value for solar cell.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Comparative ion insertion study into a nanostructured vanadium oxide in aqueous salt solutions

We present a comparative study for the electrochemical insertion of different cations into a nanostructured vanadium oxide material. The oxide is hydrothemally synthesized and electrically characterized by variable temperature measurements. The electrochemical reactions are performed in aqueous chloride solutions of lithium, sodium, potassium, and ammonium, and the electrochemical behavior of various cycles are correlated with visual changes in the vanadium oxide nanosheets as observed by scanning electron microscopy. We note an increase in the specific charge per cycle in the cases of sodium and ammonium ions only, correlated with minimal physical changes to the nanosheets. The differing behavior of the various ions has implications for their use in electrical energy storage applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Comparative study of the mechanical properties of nanostructured thin films on stretchable substrates

Comparative studies of the mechanical behavior between copper, tungsten, and W/Cu nanocomposite based on copper dispersoïd thin films were performed under in-situ controlled tensile equi-biaxial loadings using both synchrotron X-ray diffraction and digital image correlation techniques. The films first deform elastically with the lattice strain equal to the true strain given by digital image correlation measurements. The Cu single thin film intrinsic elastic limit of 0.27% is determined below the apparent elastic limit of W and W/Cu nanocomposite thin films, 0.30% and 0.49%, respectively. This difference is found to be driven by the existence of as-deposited residual stresses. Above the elastic limit on the lattice strain-true strain curves, we discriminate two different behaviors presumably footprints of plasticity and fracture. The Cu thin film shows a large transition domain (0.60% true strain range) to a plateau with a smooth evolution of the curve which is associated to peak broadening. In contrast, W and W/Cu nanocomposite thin films show a less smooth and reduced transition domain (0.30% true strain range) to a plateau with no peak broadening. These observations indicate that copper thin film shows some ductility while tungsten/copper nanocomposites thin films are brittle. Fracture resistance of W/Cu nanocomposite thin film is improved thanks to the high compressive residual stress and the elimination of the metastable β-W phase.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A comparative study on magnetism in Zn-doped AlN and GaN from first-principles

First-principles calculations have been used to comparatively investigate electronic and magnetic properties of Zn-doped AlN and GaN. A total magnetic moment of 1.0 μ B {sub B} induced by Zn is found in AlN, but not in GaN. Analyses show that the origin of spontaneous polarization not only depend on the localized atomic orbitals of N and sufficient hole concentration, but also the relative intensity of the covalency of matrix. The relatively stronger covalent character of GaN with respect to AlN impedes forming local magnetic moment in GaN matrix. Our study offers a fresh sight of spontaneous spin polarization in d⁰ magnetism. The much stronger ferromagnetic coupling in c-plane of AlN means that it is feasible to realize long-range ferromagnetic order via monolayer delta-doping. This can apply to other wide band-gap semiconductors in wurtzite structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Comparative analysis of condensation models within DSMC

Two condensation process modeling approaches within DSMC methodology are compared. The first is based on the modified nucleation theory which correctly describes small clusters and the second on the kinetic theory and considers not only supercritical clusters, but clusters of all sizes including dimers. The relaxation of the size distribution function is calculated for the spatially homogeneous cases, where the monomer parameters are kept constant. As an example the vapour of Cu atoms is considered and importance of taking into account of the internal energies of clusters is shown. Peculiarities of the classical and kinetic approaches are discussed herein.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Comparative modelling of chemical ordering in palladium-iridium nanoalloys

Chemical ordering in “magic-number” palladium-iridium nanoalloys has been studied by means of density functional theory (DFT) computations, and compared to those obtained by the Free Energy Concentration Expansion Method (FCEM) using derived coordination dependent bond energy variations (CBEV), and by the Birmingham Cluster Genetic Algorithm using the Gupta potential. Several compositions have been studied for 38- and 79-atom particles as well as the site preference for a single Ir dopant atom in the 201-atom truncated octahedron (TO). The 79- and 38-atom nanoalloy homotops predicted for the TO by the FCEM/CBEV are shown to be, respectively, the global minima and competitive low energy minima. Significant reordering of minima predicted by the Gupta potential is seen after reoptimisation at the DFT level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗