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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Validity conditions for moment closure approximations in stochastic chemical kinetics

Approximations based on moment-closure (MA) are commonly used to obtain estimates of the mean molecule numbers and of the variance of fluctuations in the number of molecules of chemical systems. The advantage of this approach is that it can be far less computationally expensive than exact stochastic simulations of the chemical master equation. Here, we numerically study the conditions under which the MA equations yield results reflecting the true stochastic dynamics of the system. We show that for bistable and oscillatory chemical systems with deterministic initial conditions, the solution of the MA equations can be interpreted as a valid approximation to the true moments of the chemical master equation, only when the steady-state mean molecule numbers obtained from the chemical master equation fall within a certain finite range. The same validity criterion for monostable systems implies that the steady-state mean molecule numbers obtained from the chemical master equation must be above a certain threshold. For mean molecule numbers outside of this range of validity, the MA equations lead to either qualitatively wrong oscillatory dynamics or to unphysical predictions such as negative variances in the molecule numbers or multiple steady-state moments of the stationary distribution as the initial conditions are varied. Our results clarify the range of validity of the MA approach and show that pitfalls in the interpretation of the results can only be overcome through the systematic comparison of the solutions of the MA equations of a certain order with those of higher orders.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Analysis of oscillation characteristics and optimal conditions for high power operation of Gyrotron FU CW GIII

The oscillation characteristics of Gyrotron FU CW GIII and its wave frequency and output power dependences on the magnetic field strength, the gun coil current, and the anode voltage were investigated experimentally. The experimental results were analyzed theoretically using a self-consistent code that included the electron properties in the cavity, corresponding to the actual operating conditions in the experiments. As a result, it was found that the variation in frequency with the magnetic field strength was related to an axial profile change in the electromagnetic wave in the cavity. In addition, the optimal condition that gives the maximum output power was found to be determined by the pitch factor rather than by the electron beam radius under the given operating conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Design, conditioning, and performance of a high voltage, high brightness dc photoelectron gun with variable gap

A new high voltage photoemission gun has been constructed at Cornell University which features a segmented insulator and a movable anode, allowing the cathode-anode gap to be adjusted. In this work, we describe the gun's overall mechanical and high voltage design, the surface preparation of components, as well as the clean construction methods. We present high voltage conditioning data using a 50 mm cathode-anode gap, in which the conditioning voltage exceeds 500 kV, as well as at smaller gaps. Finally, we present simulated emittance results obtained from a genetic optimization scheme using voltage values based on the conditioning data. These results indicate that for charges up to 100 pC, a 30 mm gap at 400 kV has equal or smaller 100% emittance than a 50 mm gap at 450 kV, and also a smaller core emittance, when placed as the source for the Cornell energy recovery linac photoinjector with bunch length constrained to be <3 ps rms. For 100 pC up to 0.5 nC charges, the 50 mm gap has larger core emittance than the 30 mm gap, but conversely smaller 100% emittance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

The instability condition of the aperiodic ordinary mode for new scalings of the counterstreaming parameters

The aperiodic ordinary (O-) mode instability in homogeneous and collisionless plasmas with kinetic anisotropies has recently received renewed attention due to its potential application in the solar wind, as well as for equal-mass plasmas. The present paper revisits the marginal instability condition of the O-mode derived from the electromagnetic linear dispersion equation for waves propagating perpendicular to the background magnetic field. For a counterstreaming bi-Maxwellian plasma system, this condition is found to be significantly affected by the streaming parameters. New functional dependencies (not studied before) of the counterstreaming parameters on the magnetic field and the other plasma parameters lead to new conditions of this instability for the both equal mass and electron-proton plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Experimental study of elliptical jet from supercritical to subcritical conditions using planar laser induced fluorescence

The study of fluid jet dynamics at supercritical conditions involves strong coupling between fluid dynamic and thermodynamic phenomena. Beyond the critical point, the liquid-vapor coexistence ceases to exist, and the fluid exists as a single phase known as supercritical fluid with its properties that are entirely different from liquids and gases. At the critical point, the liquids do not possess surface tension and latent heat of evaporation. Around the critical point, the fluid undergoes large changes in density and possesses thermodynamic anomaly like enhancement in thermal conductivity and specific heat. In the present work, the transition of the supercritical and near-critical elliptical jet into subcritical as well as supercritical environment is investigated experimentally with nitrogen and helium as the surrounding environment. Under atmospheric condition, a liquid jet injected from the elliptical orifice exhibits axis switching phenomena. As the injection temperature increases, the axis switching length also increases. Beyond the critical temperature, the axis switching is not observed. The investigation also revealed that pressure plays a major role in determining the thermodynamic transition of the elliptical jet only for the case of supercritical jet injected into subcritical chamber conditions. At larger pressures, the supercritical jet undergoes disintegration and formation of droplets in the subcritical environment is observed. However, for supercritical jet injection into supercritical environment, the gas-gas like mixing behavior is observed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

High-quality and high-purity homoepitaxial diamond (100) film growth under high oxygen concentration condition

Defect formation during diamond homoepitaxial growth was sufficiently inhibited by adding oxygen simultaneously in the growth ambient with high concentration of 2%. A 30-μm thick diamond films with surface roughness of <2 nm were homoepitaxially deposited on the (100) diamond single crystal substrates with reasonable growth rate of approximately 3 μm h{sup −1} under the conditions of higher methane concentration of 10%, higher substrate temperature of ∼1000 °C, and higher microwave power density condition of >100 W cm{sup −3}. Surface characteristic patterns moved to an identical direction with growth thickness, indicating that lateral growth was dominant growth mode. High chemical purity represented by low nitrogen concentration of less than 1 ppb and the highest {sup 12}C isotopic ratio of 99.998% of the obtained homoepitaxial diamond (100) films suggest that the proposed growth condition has high ability of impurity control.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Accessibility condition of wave propagation and multicharged ion production in electron cyclotron resonance ion source plasma

A new tandem type source of electron cyclotron resonance (ECR) plasmas has been constructing for producing synthesized ion beams in Osaka University. Magnetic mirror field configuration with octupole magnets can be controlled to various shape of ECR zones, namely, in the 2nd stage plasma to be available by a pair mirror and a supplemental coil. Noteworthy correlations between these magnetic configurations and production of multicharged ions are investigated in detail, as well as their optimum conditions. We have been considering accessibility condition of electromagnetic and electrostatic waves propagating in ECR ion source plasma, and then investigated their correspondence relationships with production of multicharged ions. It has been clarified that there exits efficient configuration of ECR zones for producing multicharged ion beams experimentally, and then has been suggested from detail accessibility conditions on the ECR plasma that new resonance, i.e., upper hybrid resonance, must have occurred.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Designing field-controllable graphene-dot-graphene single molecule switches: A quantum-theoretical proof-of-concept under realistic operating conditions

A theoretical proof of the concept that a particularly designed graphene-based moletronics device, constituted by two semi-infinite graphene subunits, acting as source and drain electrodes, and a central benzenoid ring rotator (a “quantum dot”), could act as a field-controllable molecular switch is outlined and analyzed with the density functional theory approach. Besides the ideal (0 K) case, we also consider the operation of such a device under realistic operating (i.e., finite-temperature) conditions. An in-depth insight into the physics behind device controllability by an external field was gained by thorough analyses of the torsional potential of the dot under various conditions (absence or presence of an external gating field with varying strength), computing the torsional correlation time and transition probabilities within the Bloembergen-Purcell-Pound formalism. Both classical and quantum mechanical tunneling contributions to the intramolecular rotation were considered in the model. The main idea that we put forward in the present study is that intramolecular rotors can be controlled by the gating field even in cases when these groups do not possess a permanent dipole moment (as in cases considered previously by us [I. Petreska et al., J. Chem. Phys. 134, 014708-1–014708-12 (2011)] and also by other groups [P. E. Kornilovitch et al., Phys. Rev. B 66, 245413-1–245413-7 (2002)]). Consequently, one can control the molecular switching properties by an external electrostatic field utilizing even nonpolar intramolecular rotors (i.e., in a more general case than those considered so far). Molecular admittance of the currently considered graphene-based molecular switch under various conditions is analyzed employing non-equilibrium Green’s function formalism, as well as by analysis of frontier molecular orbitals’ behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure

The local conditions for the Pauli potential that are necessary in order to yield self-consistent electron densities from orbital-free calculations are investigated for approximations that are expressed with the help of a local position variable. It is shown that those local conditions also apply when the Pauli potential is given in terms of the electron density. An explicit formula for the Ne atom is given, preserving the local conditions during the iterative procedure. The resulting orbital-free electron density exhibits proper shell structure behavior and is in close agreement with the Kohn-Sham electron density. This study demonstrates that it is possible to obtain self-consistent orbital-free electron densities with proper atomic shell structure from simple one-point approximations for the Pauli potential at local density level.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

X-ray topography using the forward transmitted beam under multiple-beam diffraction conditions

X-ray topographs are taken for a sapphire wafer with the [0001] surface normal, as an example, by forward transmitted synchrotron x-ray beams combined with two-dimensional electronic arrays in the x-ray detector having a spatial resolution of 1 μm. They exhibit no shape deformation and no position shift of the dislocation lines on the topographs. Since the topography is performed under multiple-beam diffraction conditions, the topographic images of a single diffraction (two-wave approximation condition) or plural diffractions (six-wave approximation condition) can be recorded without large specimen position changes. As usual Lang topographs, it is possible to determine the Burgers vector of each dislocation line. Because of high parallelism of the incoming x-rays and linear sensitivity of the electronic arrays to the incident x-rays, the present technique can be used to visualize individual dislocations in single crystals of the dislocation density as high as 1 × 10{sup 5} cm{sup −2}.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Effect of fabrication conditions on phase formation and properties of epitaxial (PbMg{sub 1/3}Nb{sub 2/3}O{sub 3}){sub 0.67}-(PbTiO{sub 3}){sub 0.33} thin films on (001) SrTiO{sub 3}

The pulsed laser deposition process of 300 nm thick films of Pb(Mg{sub 1/3}Nb{sub 2/3})O{sub 3}){sub 0.67}-(PbTiO{sub 3}){sub 0.33} on (001)-oriented SrTiO{sub 3} was studied by varying deposition pressure, substrate deposition temperature, laser fluence on the target and target-substrate distance. Perovskite phase pure, (001)-oriented, epitaxial smooth films were obtained in a narrow range of deposition parameters. The ferroelectric and dielectric properties of films fabricated within this parameter range still vary significantly. This shows the sensitivity of the system for growth conditions. The best film has a polarization value close to that expected for a (001) poled, stress free single crystal film. All films show deposition conditions dependent variations in the self-bias field. The self-bias is very stable during long cycling for films made at optimum deposition conditions. The piezoelectric coefficients of the films are strongly reduced with respect to bulk single crystal values due to the film clamping. The properties variations are ascribed to changes in the grain boundary properties in which film defects are expected to accumulate. Notably slight off-stoichiometry may cause localized screening charges, affecting specifically the polarization and dielectric constant.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Fouling resistance prediction using artificial neural network nonlinear auto-regressive with exogenous input model based on operating conditions and fluid properties correlations

Fouling in a heat exchanger in Crude Preheat Train (CPT) refinery is an unsolved problem that reduces the plant efficiency, increases fuel consumption and CO{sub 2} emission. The fouling resistance behavior is very complex. It is difficult to develop a model using first principle equation to predict the fouling resistance due to different operating conditions and different crude blends. In this paper, Artificial Neural Networks (ANN) MultiLayer Perceptron (MLP) with input structure using Nonlinear Auto-Regressive with eXogenous (NARX) is utilized to build the fouling resistance model in shell and tube heat exchanger (STHX). The input data of the model are flow rates and temperatures of the streams of the heat exchanger, physical properties of product and crude blend data. This model serves as a predicting tool to optimize operating conditions and preventive maintenance of STHX. The results show that the model can capture the complexity of fouling characteristics in heat exchanger due to thermodynamic conditions and variations in crude oil properties (blends). It was found that the Root Mean Square Error (RMSE) are suitable to capture the nonlinearity and complexity of the STHX fouling resistance during phases of training and validation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Optimization of interaction conditions for efficient short laser pulse amplification by stimulated Brillouin scattering in the strongly coupled regime

Plasma amplification of low energy, a short (∼100–500 fs) laser pulse by an energetic long (∼10 ps) pulse via strong coupling Stimulated Brillouin Backscattering is investigated with an extensive analysis of one-dimensional particle-in-cell simulations. Parameters relevant to nowadays experimental conditions are investigated. The obtained seed pulse spectra are analyzed as a function of the interaction conditions such as plasma profile, pulses delay, and seed or pulse duration. The factors affecting the amount of energy transferred are determined, and the competition between Brillouin-based amplification and parasitic Raman backscattering is analyzed, leading to the optimization of the interaction conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Study of a condition for the mode conversion from purely perpendicular electrostatic waves to electromagnetic waves

One of the mechanisms for generating electromagnetic plasma waves (Z-mode and LO-mode) is mode conversion from electrostatic waves into electromagnetic waves in inhomogeneous plasma. Herein, we study a condition required for mode conversion of electrostatic waves propagating purely perpendicular to the ambient magnetic field, by numerically solving the full dispersion relation. An approximate model is derived describing the coupling between electrostatic waves (hot plasma Bernstein mode) and Z-mode waves at the upper hybrid frequency. The model is used to study conditions required for mode conversion from electrostatic waves (electrostatic electron cyclotron harmonic waves, including Bernstein mode) into electromagnetic plasma waves (LO-mode). It is shown that for mode conversion to occur in inhomogeneous plasma, the angle between the boundary surface and the magnetic field vector should be within a specific range. The range of the angle depends on the norm of the k vector of waves at the site of mode conversion in the inhomogeneous region. The present study reveals that inhomogeneity alone is not a sufficient condition for mode conversion from electrostatic waves to electromagnetic plasma waves and that the angle between the magnetic field and the density gradient plays an important role in the conversion process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Stabilizing effects of enhanced resistivity due to lithium-conditioning on low- n edge localized modes in NSTX

The stabilizing effects of enhanced edge resistivity on edge-localized instabilities in high confinement discharges due to lithium-conditioning in the National Spherical Torus Experiment are identified for the first time. Linear stability analysis of the experimentally constrained equilibrium suggests that the change in the equilibrium plasma density and pressure profiles alone due to lithium-conditioning may be insufficient for a complete suppression of low toroidal mode number peeling-ballooning modes. In conclusion, the enhanced resistivity due to the increased effective electric charge number Z eff after lithium-conditioning provides additional stabilization of the edge localized modes. Notably, this stabilizing effect by enhanced edge resistivity becomes evident only in two-fluid magnetohydrodynamic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Ellipticity conditions for the extended MHD Grad-Shafranov-Bernoulli equilibrium equations

In this study, we find the points of transition between elliptic and hyperbolic regimes for the axisymmetric extended magnetohydrodynamic (MHD) equilibrium equations. The ellipticity condition is expressed via a single inequality but is more involved than the corresponding two-fluid ones due to the imposition of the quasineutrality condition and is also more complicated than the Hall MHD ellipticity condition, due to electron inertia. In fact, the inclusion of electron inertia is responsible for peculiar results; namely, even the static equilibrium equations can become hyperbolic.

Speed of sound↗
DOE OSTI2019

Bright electroluminescence in ambient conditions from WSe 2 p-n diodes using pulsed injection

Transition metal dichalcogenide (TMDC) monolayers are promising materials for next-generation nanoscale optoelectronics, including high-speed light sources and detectors. However, most past reports on TMDC light-emitting diodes are limited to operation in high vacuum, while most applications require operation under ambient conditions. Here, we study the time-resolved electroluminescence of monolayer WSe 2 p-n junctions under ambient conditions and identify the decay in current over time as the main issue preventing stable device operation. We show that pulsed voltage bias overcomes this issue and results in bright electroluminescence under ambient conditions. This is achieved in a simple single-gate structure, without the use of dual gates, heterostructures, or doping methods. Internal quantum efficiency of electroluminescence reaches ~1%, close to the photoluminescence quantum efficiency, indicating efficient exciton formation with injected carriers. Emission intensity is stable over hours of device operation. Finally, our device exhibits ~15 ns rise and fall times, the fastest direct modulation speed reported for TMDC light-emitting diodes.

2D materials↗
DOE OSTI2020

Analytical model of plasma response to external magnetic perturbation in absence of no-slip condition

Recent simulation and experimental results suggest that the magnetic island and flow on a resonant surface often do not satisfy the “no-slip” condition in the steady state. A new theoretical model on a nonlinear plasma response to external magnetic perturbation in the absence of a no-slip condition is proposed. The model is composed of the equations for the evolution of both the width and phase of the magnetic island due to forced reconnection driven by the external magnetic perturbation, and the force-balance equation for the plasma flow. When the island width is much less than the resistive layer width, the island growth is governed by the linear Hahm–Kulsrud–Taylor solution in the presence of time-dependent plasma flow. In the other regime when the island width is much larger than the resistive layer width, the evolution of both the island width and phase can be described using the Rutherford theory. The island solution is used to construct the quasilinear electromagnetic force, which, together with the viscous one, contributes to the nonlinear variation in plasma flow. The no-slip condition assumed in the conventional error field theory is not imposed here, where the island oscillation frequency depends on but does not necessarily equal to the plasma flow frequency at the rational surface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗