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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Measurement of electron density using reactance cutoff probe

This paper proposes a new measurement method of electron density using the reactance spectrum of the plasma in the cutoff probe system instead of the transmission spectrum. The highly accurate reactance spectrum of the plasma-cutoff probe system, as expected from previous circuit simulations [Kim et al., Appl. Phys. Lett. 99, 131502 (2011)], was measured using the full two-port error correction and automatic port extension methods of the network analyzer. The electron density can be obtained from the analysis of the measured reactance spectrum, based on circuit modeling. According to the circuit simulation results, the reactance cutoff probe can measure the electron density more precisely than the previous cutoff probe at low densities or at higher pressure. The obtained results for the electron density are presented and discussed for a wide range of experimental conditions, and this method is compared with previous methods (a cutoff probe using the transmission spectrum and a single Langmuir probe).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials

Calculations of Debye-Scherrer diffraction patterns from polycrystalline materials have typically been done in the limit of small deviatoric stresses. Although these methods are well suited for experiments conducted near hydrostatic conditions, more robust models are required to diagnose the large strain anisotropies present in dynamic compression experiments. A method to predict Debye-Scherrer diffraction patterns for arbitrary strains has been presented in the Voigt (iso-strain) limit [Higginbotham, J. Appl. Phys. 115, 174906 (2014)]. Here, we present a method to calculate Debye-Scherrer diffraction patterns from highly stressed polycrystalline samples in the Reuss (iso-stress) limit. This analysis uses elastic constants to calculate lattice strains for all initial crystallite orientations, enabling elastic anisotropy and sample texture effects to be modeled directly. The effects of probing geometry, deviatoric stresses, and sample texture are demonstrated and compared to Voigt limit predictions. An example of shock-compressed polycrystalline diamond is presented to illustrate how this model can be applied and demonstrates the importance of including material strength when interpreting diffraction in dynamic compression experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Photoexcited carrier trapping and recombination at Fe centers in GaN

Fe doped GaN was studied by time-resolved photoluminescence (PL) spectroscopy. The shape of PL transients at different temperatures and excitation powers allowed discrimination between electron and hole capture to Fe{sup 3+} and Fe{sup 2+} centers, respectively. Analysis of the internal structure of Fe ions and intra-ion relaxation rates suggests that for high repetition rates of photoexciting laser pulses the electron and hole trapping takes place in the excited state rather than the ground state of Fe ions. Hence, the estimated electron and hole capture coefficients of 5.5 × 10{sup −8} cm{sup 3}/s and 1.8 × 10{sup −8} cm{sup 3}/s should be attributed to excited Fe{sup 3+} and Fe{sup 2+} states. The difference in electron capture rates determined for high (MHz) and low (Hz) (Fang et al., Appl. Phys. Lett. 107, 051901 (2015)) pulse repetition rates may be assigned to the different Fe states participating in the carrier capture. A weak temperature dependence of the electron trapping rate shows that the potential barrier for the multiphonon electron capture is small. A spectral feature observed at ∼420 nm is assigned to the radiative recombination of an electron in the ground Fe{sup 2+} state and a bound hole.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Nano-crystallization in ZnO-doped In{sub 2}O{sub 3} thin films via excimer laser annealing for thin-film transistors

In a previous work, we reported the high field effect mobility of ZnO-doped In{sub 2}O{sub 3} (IZO) thin film transistors (TFTs) irradiated by excimer laser annealing (ELA) [M. Fujii et al., Appl. Phys. Lett. 102, 122107 (2013)]. However, a deeper understanding of the effect of ELA on the IZO film characteristics based on crystallinity, carrier concentrations, and optical properties is needed to control localized carrier concentrations for fabricating self-aligned structures in the same oxide film and to adequately explain the physical characteristics. In the case of as-deposited IZO film used as the channel, a high carrier concentration due to a high density of oxygen vacancies was observed; such a film does not show the required TFT characteristics but can act as a conductive film. We achieved a decrease in the carrier concentration of IZO films by crystallization using ELA. This means that ELA can form localized conductive or semi-conductive areas on the IZO film. We confirmed that the reason for the carrier concentration decrease was the decrease of oxygen-deficient regions and film crystallization. The annealed IZO films showed nano-crystalline phase, and the temperature at the substrate was substantially less than the temperature limit for flexible films such as plastic, which is 50°C. This paves the way for the formation of self-aligned structures and separately formed conductive and semi-conductive regions in the same oxide film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

In-situ evaluation of the degradable carbon influence for industrial waste water treatment

A photochemical investigation and synergetic blend for wastewater purification was carried out. Blends of different peels: Potato-, Apple and Pineapples-peals (PAP-peals) were impregnated with aqueous solutions of ZnCl{sub 2} following the variant of the incipient wetness method for activation of activated carbon (AC). Different concentrations were used to produce impregnation ratios. Activation was carried out in a tube furnace by heating to 700°C with 1 hour soaking time. Scanning Electron Microscopic with attached energy dispersive spectrometer (SEM/EDS), Atomic Adsorption Spectrometry (AAS) and Fourier Transform Infrared spectrometer (FTIS) equipments were used for the characterization of the AC produced. The result shows that PAP-peals derived activated carbons had micro porous characteristics. The study revealed that these new combined adsorbents materials are inexpensive, easily available and they have applications for the removal of Cu, Pb and Cr contained in industrial effluents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Comparison of the growth kinetics of In{sub 2}O{sub 3} and Ga{sub 2}O{sub 3} and their suboxide desorption during plasma-assisted molecular beam epitaxy

We present a comprehensive study of the In{sub 2}O{sub 3} growth kinetics during plasma-assisted molecular beam epitaxy and compare it to that of the related oxide Ga{sub 2}O{sub 3} [P. Vogt and O. Bierwagen, Appl. Phys. Lett. 108, 072101 (2016)]. The growth rate and desorbing fluxes were measured during growth in-situ by a laser reflectometry set-up and line-of-sight quadrupole mass spectrometer, respectively. We extracted the In incorporation as a function of the provided In flux, different growth temperatures T{sub G}, and In-to-O flux ratios r. The data are discussed in terms of the competing formation of In{sub 2}O{sub 3} and desorption of the suboxide In{sub 2}O and O. The same three growth regimes as in the case of Ga{sub 2}O{sub 3} can be distinguished: (i) In-transport limited, O-rich (ii) In{sub 2}O-desorption limited, O-rich, and (iii) O-transport limited, In-rich. In regime (iii), In droplets are formed on the growth surface at low T{sub G}. The growth kinetics follows qualitatively that of Ga{sub 2}O{sub 3} in agreement with their common oxide and suboxide stoichiometry. The quantitative differences are mainly rationalized by the difference in In{sub 2}O and Ga{sub 2}O desorption rates and vapor pressures. For the In{sub 2}O, Ga{sub 2}O, and O desorption, we extracted the activation energies and frequency factors by means of Arrhenius-plots.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Measurements of the sound velocity of shock-compressed liquid silica to 1100 GPa

The sound velocity in a shocked material provides information about its off-Hugoniot behavior of a material at high pressures. This information can be used to extend the knowledge gained in Hugoniot experiments and to model the re-shock and release behavior. Silica is one of the most important materials for equation of state studies because of its prevalence in the earth’s interior and the well-defined properties of α-quartz. This paper presents sound velocity measurements of amorphous fused silica over the range 200 to 1100 GPa using laser-driven shocks and an α- quartz standard. These measurements demonstrate the technique proposed by Fratanduono et al [J. Appl. Phys 116, 033517 (2014)] to determine the sound velocity from the arrival of acoustic perturbations. The results compare favorably to the SESAME 7386 equation-of-state table. The Grüneisen parameter was calculated from the sound velocity data and found to be Γ=0.66 ± 0.05 at densities above 6 g/cm 3 , an increase in precision by a factor of two over previous measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The reactants equation of state for the tri-amino-tri-nitro-benzene (TATB) based explosive PBX 9502

The response of high explosives (HEs), due to mechanical and/or thermal insults, is of great importance for both safety and performance. A major component of how an HE responds to these stimuli stems from its reactant equation of state (EOS). In this study, the tri-amino-tri-nitro-benzene based explosive PBX 9502 is investigated by examining recent experiments. Furthermore, a complete thermal EOS is calibrated based on the functional form devised by Wescott, Stewart, and Davis [J. Appl. Phys. 98, 053514 (2005)]. It is found, by comparing to earlier calibrations, that a variety of thermodynamic data are needed to sufficiently constrain the EOS response over a wide range of thermodynamic state space. Included in the calibration presented here is the specific heat as a function of temperature, isobaric thermal expansion, and shock Hugoniot response. As validation of the resulting model, isothermal compression and isentropic compression are compared with recent experiments.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2018

p-type doping efficiency in CdTe: Influence of second phase formation

Cadmium telluride (CdTe) high purity, bulk, crystal ingots doped with phosphorus were grown by the vertical Bridgman melt growth technique to understand and improve dopant solubility and activation. We report that large net carrier densities have been reproducibly obtained from as-grown ingots, indicating successful incorporation of dopants into the lattice. However, net carrier density values are orders of magnitude lower than the solubility of P in CdTe as reported in literature, 10 18 /cm 3 to 10 19 /cm 3 [J. H. Greenberg, J. Cryst. Growth 161, 1–11 (1996) and R. B. Hall and H. H. Woodbury, J. Appl. Phys. 39(12), 5361–5365 (1968)], despite comparable starting charge dopant densities. Growth conditions, such as melt stoichiometry and post growth cooling, are shown to have significant impacts on dopant solubility. This study demonstrates that a significant portion of the dopant becomes incorporated into second phase defects as compounds of cadmium and phosphorous, such as cadmium phosphide, which inhibits dopant incorporation into the lattice and limits maximum attainable net carrier density in bulk crystals. In this paper, we present an extensive study on the characteristics of these second phase defects in relation to their composition and formation kinetics while providing a pathway to minimize their formation and enhance solubility.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Large scale Brownian dynamics of confined suspensions of rigid particles

We introduce methods for large-scale Brownian Dynamics (BD) simulation of many rigid particles of arbitrary shape suspended in a fluctuating fluid. Our method adds Brownian motion to the rigid multiblob method [F. Balboa Usabiaga et al., Commun. Appl. Math. Comput. Sci. 11(2), 217–296 (2016)] at a cost comparable to the cost of deterministic simulations. We demonstrate that we can efficiently generate deterministic and random displacements for many particles using preconditioned Krylov iterative methods, if kernel methods to efficiently compute the action of the Rotne-Prager-Yamakawa (RPY) mobility matrix and its “square” root are available for the given boundary conditions. These kernel operations can be computed with near linear scaling for periodic domains using the positively split Ewald method. Here we study particles partially confined by gravity above a no-slip bottom wall using a graphical processing unit implementation of the mobility matrix-vector product, combined with a preconditioned Lanczos iteration for generating Brownian displacements. We address a major challenge in large-scale BD simulations, capturing the stochastic drift term that arises because of the configuration-dependent mobility. Unlike the widely used Fixman midpoint scheme, our methods utilize random finite differences and do not require the solution of resistance problems or the computation of the action of the inverse square root of the RPY mobility matrix. We construct two temporal schemes which are viable for large-scale simulations, an Euler-Maruyama traction scheme and a trapezoidal slip scheme, which minimize the number of mobility problems to be solved per time step while capturing the required stochastic drift terms. We validate and compare these schemes numerically by modeling suspensions of boomerang-shaped particles sedimented near a bottom wall. Using the trapezoidal scheme, we investigate the steady-state active motion in dense suspensions of confined microrollers, whose height above the wall is set by a combination of thermal noise and active flows. We find the existence of two populations of active particles, slower ones closer to the bottom and faster ones above them, and demonstrate that our method provides quantitative accuracy even with relatively coarse resolutions of the particle geometry.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Charged particle reflection by a planar artificially structured boundary with electrostatic plugging

A classical trajectory Monte Carlo simulation is used to investigate an artificially structured boundary for confinement and control of charged particles. The artificially structured boundary considered here incorporates a planar sequence of conducting wires, where adjacent wires carry current in opposite directions. Such a configuration creates a sequence of magnetic cusps and was studied previously [C. A. Ordonez, J. Appl. Phys. 106, 024905 (2009)]. The effect of introducing a sequence of electrodes for electrostatic plugging of the cusps is investigated. The results of the simulations are used to identify regions of parameter space in which particle losses through the cusps may be negligible in the single particle limit. A trap based on a cylindrical generalization of the artificially structured boundary presented here may lead to a method for confining non-neutral and partially neutralized plasmas along the edge, such that the bulk of a confined plasma is effectively free of externally applied electromagnetic fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Ionization instability induced striations in low frequency and pulsed He/H 2 O atmospheric pressure plasmas

In previous work [Kawamura et al., Plasma Sources Sci. Technol. 25, 054009 (2016)] and [Kawamura et al., J. Phys. D: Appl. Phys. 50, 145204 (2017)], 1D kinetic particle-in-cell (PIC) simulations of narrow gap (1 to 4 mm), high frequency (27 MHz) or dc-driven, He/2%H 2 O atmospheric pressure plasmas (APPs) showed an ionization instability resulting in standing striations (spatial oscillations) in the bulk plasma. We developed a steady-state striation theory which showed that the striations are due to non-local electron kinetics. In both the high frequency and dc-driven cases, the equilibrium electron density n 0 in the plasma bulk was stationary. In this work, we first conduct 1D PIC simulations of a 1 mm gap He/2%H 2 O APP, driven by a sinusoidal current at a low frequency of f = 50 kHz such that ω = 2 πf is well below the ionization frequency ν iz . In this case, n 0 varies with time, and we observe a time-varying instability which quasistatically depends on n 0 ( t ). At each phase of the rf cycle, the discharge resembles a dc discharge at the same n 0 . At higher frequencies (200 kHz–1 MHz), ω approaches ν iz , and quasistatic equilibrium at each phase breaks down. The discharge is also driven with a 200 kHz, 50% duty cycle square wave pulse with a short rise and fall time of 0.1 μs in an attempt to directly measure the striation growth rate s during the on-cycle before it saturated. However, the spike in current during the rise time leads to a spike in electron temperature T e and hence ν iz and s at the beginning of the rise which saturated during the beginning of the on-cycle. To predict the instability growth rate and saturation during and after the current spike, we extend our striation theory to include time-varying n 0 , T e , ν iz , as well as terms for the nonlinear saturation and noise floor of the striation amplitude. Furthermore, the time-varying global model predictions are compared to the PIC simulations, showing reasonable agreement.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

A plasma amplifier to combine multiple beams at NIF

Combining laser beams in a plasma is enabled by seeded stimulated Brillouin scattering which allows cross-beam energy transfer (CBET) to occur and re-distributes the energy between beams that cross with different incident angles and small differences in wavelength [Kirkwood et al. Phys. Plasmas 4, 1800 (1997)]. Indirect-drive implosions at the National Ignition Facility (NIF) [Haynam et al. Appl. Opt. 46, 3276–3303 (2007)] have controlled drive symmetry by using plasma amplifiers to transfer energy between beams [Kirkwood et al., Plasma Phys. Controlled Fusion 55, 103001 (2013); Lindl et al., Phys. Plasmas 21, 020501 (2014); and Hurricane et al. Nature 506, 343–348 (2014)]. In this work, we show that the existing models are well enough validated by experiments to allow a design of a plasma beam combiner that, once optimized, is expected to produce a pulse of light in a single beam with the energy greatly enhanced over existing sources. The scheme combines up to 61 NIF beams with 120 kJ of available energy into a single f/20 beam with a 1 ns pulse duration and a 351 nm wavelength by both resonant and off-resonance CBET. Initial experiments are also described that have already succeeded in producing a 4 kJ, 1 ns pulse in a single beam by combination of up to eight incident pump beams containing <1.1 kJ/beam, which are maintained near resonance for CBET in a plasma that is formed by 60 pre-heating beams [Kirkwood et al., Nat. Phys. 14, 80 (2018)].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Shock temperature dependent rate law for plastic bonded explosives

A reactive flow model for the tri-amino-tri-nitro-benzene (TATB) based plastic bonded explosive PBX 9502 (95% TATB, 5% polymeric binder Kel-F 800) is presented. This newly devised model is based primarily on the shock temperature of the material, along with local pressure, and accurately models a broader range of detonation and initiation scenarios. Specifically, sensitivity changes to the initial explosive temperature are accounted for naturally and with a single set of parameters. The equation of state forms for the reactants and products, as well as the thermodynamic closure of pressure and temperature equilibration, are carried over from the Wescott-Stewart-Davis (WSD) model [Wescott et al., J. Appl. Phys. 98, 053514 (2005) and “Modeling detonation diffraction and dead zones in PBX-9502,” in Proceedings of the Thirteenth International Detonation Symposium (2006)]. This newly devised model, with Arrhenius state dependence on the shock temperature, based on the WSD equation of states, is denoted by AWSD. In conclusion, modifying an existing implementation of the WSD model to the AWSD model in a hydrocode is a rather straightforward procedure.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The thermodynamics of a liquid-solid interface at extreme conditions: A model close-packed system up to 100 GPa

The first experimental insight into the nature of the liquid-solid interface occurred with the pioneering experiments of Turnbull, which simultaneously demonstrated both that metals could be deeply undercooled (and therefore had relatively large barriers to nucleation) and that the inferred interfacial free energy γ was linearly proportional to the enthalpy of fusion [D. Turnbull, J. Appl. Phys. 21, 1022 (1950)]. By an atomistic simulation of a model face-centered cubic system via adiabatic free energy dynamics, we extend Turnbull’s result to the realm of high pressure and demonstrate that the interfacial free energy, evaluated along the melting curve, remains linear with the bulk enthalpy of fusion, even up to 100 GPa. This linear dependence of γ on pressure is shown to be a consequence of the entropy dominating the free energy of the interface in conjunction with the fact that the entropy of fusion does not vary greatly along the melting curve for simple monoatomic metals. Here, based on this observation, it appears that large undercoolings in liquid metals can be achieved even at very high pressure. Therefore, nucleation rates at high pressure are expected to be non-negligible, resulting in observable solidification kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A compact multi-plane broadband (0.5-17 keV) spectrometer using a single acid phthalate crystal

Acid phthalate crystals such as KAP crystals are a method of choice to record x-ray spectra in the soft x-ray regime ( E ~ 1 keV) using the large (001) 2 d = 26.63 Å spacing. Reflection from many other planes is possible, and knowledge of the 2d spacing, reflectivity, and resolution for these reflections is necessary to evaluate whether they hinder or help the measurements. Burkhalter et al. [J. Appl. Phys., 52, 4379 (1981)] showed that the (013) reflection has efficiency comparable to the 2nd order reflection (002), and it can overlap the main first order reflection when the crystal bending axis ( b -axis) is contained in the dispersion plane, thus contaminating the main (001) measurement in a convex crystal geometry. We present a novel spectrograph concept that makes these asymmetric reflections helpful by setting the crystal b -axis perpendicular to the dispersion plane. In such an instance, asymmetric reflections do not overlap with the main (001) reflection and each reflection can be used as an independent spectrograph. In this work we demonstrate an achieved spectral range of 0.8-13 keV with a prototype setup. The detector measurements were reproduced with a 3D ray-tracing code.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Elastic-plastic deformation of molybdenum single crystals shocked to 12.5 GPa: Crystal anisotropy effects

Here, to understand crystal anisotropy effects on shock-induced elastic-plastic deformation of molybdenum (Mo), results from high-purity single crystals shocked along [110] and [111] orientations to an elastic impact stress of 12.5 GPa were obtained and compared with the [100] results previously reported [A. Mandal and Y. M Gupta, J. Appl. Phys. 121, 045903 (2017)]. Measured wave profiles showed a time-dependent response, and strong anisotropy was observed in the elastic wave attenuation with the propagation distance, elastic limits, shock speeds, and overall structure of the wave profiles. Resolved shear stresses on {110} $\langle$111$\rangle$ and {112} $\langle$111$\rangle$ slip systems provided insight into the observed anisotropy in elastic wave attenuation and elastic limits and showed that shear stresses, and not longitudinal stresses, are a better measure of strength in shocked single crystals. Under shock compression, resolved shear stresses at elastic limits were comparable to the Peierls stress of screw dislocations in Mo. Elastic wave attenuation was rapid when shear stresses were larger than the Peierls stress. Large differences in the elastic limits under shock and quasi-static loading are likely a consequence of the large Peierls stress value for Mo. Numerically simulated wave profiles, obtained using the dislocation-based plasticity model described in the [100] work, showed good agreement with all measured wave profiles but could not differentiate between the {110} $\langle$111$\rangle$ and {112} $\langle$111$\rangle$ slip systems. Overall, experimental results and corresponding numerical simulations for the three crystal orientations have provided a comprehensive insight into shock-induced elastic-plastic deformation of Mo single crystals, including the development of a continuum material model.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Multi-mode ionization instability induced striations in RF driven He/H 2 O atmospheric pressure plasma (APP) discharges

Previously [E. Kawamura et al., Plasma Sources Sci. Technol. 25, 054009 (2016) and E. Kawamura et al., J. Phys. D: Appl. Phys. 50, 145204 (2017)], one dimensional (1D) particle-in-cell (PIC) simulations of 1 to 4mm gap, He/2%H 2 O atmospheric pressure plasma discharges showed an ionization instability resulting in bulk striations. Assuming that the ionization rate coefficient K iz is related to the root mean square electric field E by K iz &prop; E q , a striation theory showed that q<0 is a necessary condition for the instability. A local calculation yielded q>0, implying that nonlocal electron kinetics are required for the instability. Wider gaps can fit in a wider range of wavelengths, resulting in multi-mode striations. Previously, we assumed a single mean q value for each discharge, and did not calculate q for each mode separately. Here, we develop a wavelength resolved global striation model and apply it to 1D PIC simulations of 4mm gap discharges with input currents J rf = 0.04 to 0.30A/cm 2 . We first examine a base case at 0.23A/cm 2 and observe a mixture of unstable modes within a window of wavelengths λ. At shorter λ, the modes are suppressed by diffusion. At longer λ, we observe a transition to locality in which q becomes less negative with increasing λ, approaching its local positive value and stabilizing the modes. The window of unstable modes shifts to shorter λ with increasing J rf , causing the modes to be suppressed by diffusion at higher J rf . At lower J rf , the decrease in bulk plasma density with decreasing J rf suppresses the striations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗