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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A coarse-grain force field for RDX: Density dependent and energy conserving

We describe the development of a density-dependent transferable coarse-grain model of crystalline hexahydro-1,3,5-trinitro-s-triazine (RDX) that can be used with the energy conserving dissipative particle dynamics method. The model is an extension of a recently reported one-site model of RDX that was developed by using a force-matching method. The density-dependent forces in that original model are provided through an interpolation scheme that poorly conserves energy. The development of the new model presented in this work first involved a multi-objective procedure to improve the structural and thermodynamic properties of the previous model, followed by the inclusion of the density dependency via a conservative form of the force field that conserves energy. The new model accurately predicts the density, structure, pressure-volume isotherm, bulk modulus, and elastic constants of the RDX crystal at ambient pressure and exhibits transferability to a liquid phase at melt conditions.

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

Size dependent magnetic and electrical properties of Ba-doped nanocrystalline BiFeO{sub 3}

Improvement in magnetic and electrical properties of multiferroic BiFeO{sub 3} in conjunction with their dependence on particle size is crucial due to its potential applications in multifunctional miniaturized devices. In this investigation, we report a study on particle size dependent structural, magnetic and electrical properties of sol-gel derived Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} nanoparticles of different sizes ranging from ∼ 12 to 49 nm. The substitution of Bi by Ba significantly suppresses oxygen vacancies, reduces leakage current density and Fe{sup 2+} state. An improvement in both magnetic and electrical properties is observed for 10 % Ba-doped BiFeO{sub 3} nanoparticles compared to its undoped counterpart. The saturation magnetization of Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} nanoparticles increase with reducing particle size in contrast with a decreasing trend of ferroelectric polarization. Moreover, a first order metamagnetic transition is noticed for ∼ 49 nm Bi{sub 0.9}Ba{sub 0.1}FeO{sub 3} nanoparticles which disappeared with decreasing particle size. The observed strong size dependent multiferroic properties are attributed to the complex interaction between vacancy induced crystallographic defects, multiple valence states of Fe, uncompensated surface spins, crystallographic distortion and suppression of spiral spin cycloid of BiFeO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Influence of momentum dependent interactions on the fragment structures at balance energies

We study the role of momentum-dependent interactions on fragment structures at balance energies for semi-peripheral collisions over a wide range of system masses using quantum molecular dynamics (QMD) model. We find a meagre role of momentum-dependent interactions for fragments in case of lighter system masses. But as we go towards higher system masses, the effect of momentum-dependent interactions increases for free nucleons, light charged particles and intermediate mass fragments at corresponding balance energies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Intensity-dependent nonlinearity of the lateral photoconductivity in InGaAs/GaAs dot-chain structures

Photoelectric properties of laterally correlated multilayer InGaAs/GaAs quantum dots (QDs) heterostructures are studied. The response of the photocurrent to increasing excitation intensity is found to be nonlinear and varying with excitation energy. The structures are photosensitive in a wide range of photon energies above 0.6 eV. The spectral dependence of the photoconductivity (PC) is caused by strong interaction between the bulk GaAs and the lower energy states of the wetting layer, the QDs, as well as the defect states in the GaAs band gap. In particular, a mechanism for the participation of deep electron trap levels in the photocurrent is clarified. These structures also demonstrate a high sensitivity of up to 10 A/W at low excitation intensities. However, at higher excitation intensities, the sensitivity reduces exhibiting a strong spectral dependence at the same time. The observed sublinear PC dependence on excitation power results from a direct electron-hole recombination both in the QDs and in GaAs host. The solution of rate equations included the contributions of QD ground and exited states, bulk GaAs states and the states of defects within the GaAs bandgap describes well the experimental data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Thickness dependence of spin Hall magnetoresistance in FeMn/Pt bilayers

We investigated spin Hall magnetoresistance in FeMn/Pt bilayers, which was found to be one order of magnitude larger than that of heavy metal and insulating ferromagnet or antiferromagnet bilayer systems, and comparable to that of NiFe/Pt bilayers. The spin Hall magnetoresistance shows a non-monotonic dependence on the thicknesses of both FeMn and Pt. The former can be accounted for by the thickness dependence of net magnetization in FeMn thin films, whereas the latter is mainly due to spin accumulation and diffusion in Pt. Through analysis of the Pt thickness dependence, the spin Hall angle, spin diffusion length of Pt and the real part of spin mixing conductance were determined to be 0.2, 1.1 nm, and 5.5 × 10{sup 14} Ω{sup −1}m{sup −2}, respectively. The results corroborate the spin orbit torque effect observed in this system recently.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Algebraic solutions of shape-invariant position-dependent effective mass systems

Keeping in view the ordering ambiguity that arises due to the presence of position-dependent effective mass in the kinetic energy term of the Hamiltonian, a general scheme for obtaining algebraic solutions of quantum mechanical systems with position-dependent effective mass is discussed. We quantize the Hamiltonian of the pertaining system by using symmetric ordering of the operators concerning momentum and the spatially varying mass, initially proposed by von Roos and Lévy-Leblond. The algebraic method, used to obtain the solutions, is based on the concepts of supersymmetric quantum mechanics and shape invariance. In order to exemplify the general formalism a class of non-linear oscillators has been considered. This class includes the particular example of a one-dimensional oscillator with different position-dependent effective mass profiles. Explicit expressions for the eigenenergies and eigenfunctions in terms of generalized Hermite polynomials are presented. Moreover, properties of these modified Hermite polynomials, like existence of generating function and recurrence relations among the polynomials have also been studied. Furthermore, it has been shown that in the harmonic limit, all the results for the linear harmonic oscillator are recovered.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Measurement of angularly dependent spectra of betatron gamma-rays from a laser plasma accelerator with quadrant-sectored range filters

Measurement of angularly dependent spectra of betatron gamma-rays radiated by GeV electron beams from laser wakefield accelerators (LWFAs) are presented. The angle-resolved spectrum of betatron radiation was deconvolved from the position dependent data measured for a single laser shot with a broadband gamma-ray spectrometer comprising four-quadrant sectored range filters and an unfolding algorithm, based on the Monte Carlo code GEANT4. The unfolded gamma-ray spectra in the photon energy range of 0.1–10 MeV revealed an approximately isotropic angular dependence of the peak photon energy and photon energy-integrated fluence. As expected by the analysis of betatron radiation from LWFAs, the results indicate that unpolarized gamma-rays are emitted by electrons undergoing betatron motion in isotropically distributed orbit planes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Temperature dependence of interlayer coupling in perpendicular magnetic tunnel junctions with GdOx barriers

Perpendicular magnetic tunnel junctions with GdO X tunneling barriers have shown a unique voltage controllable interlayer magnetic coupling effect. Here we investigate the quality of the GdO X barrier and the coupling mechanism in these junctions by examining the temperature dependence of the tunneling magnetoresistance and the interlayer coupling from room temperature down to 11 K. The barrier is shown to be of good quality with the spin independent conductance only contributing a small portion, 14%, to the total room temperature conductance, similar to AlO X and MgO barriers. The interlayer coupling, however, shows an anomalously strong temperature dependence including sign changes below 80 K. This non-trivial temperature dependence is not described by previous models of interlayer coupling and may be due to the large induced magnetic moment of the Gd ions in the barrier.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A comment on the position dependent diffusion coefficient representation of structural heterogeneity

Experimental studies of the variation of the mean square displacement (MSD) of a particle in a confined colloid suspension that exhibits density variations on the scale length of the particle diameter are not in agreement with the prediction that the spatial variation in MSD should mimic the spatial variation in density. The predicted behavior is derived from the expectation that the MSD of a particle depends on the system density and the assumption that the force acting on a particle is a point function of position. The experimental data are obtained from studies of the MSDs of particles in narrow ribbon channels and between narrowly spaced parallel plates and from new data, reported herein, of the radial and azimuthal MSDs of a colloid particle in a dense colloid suspension confined to a small circular cavity. In each of these geometries, a dense colloid suspension exhibits pronounced density oscillations with spacing of a particle diameter. We remove the discrepancy between prediction and experiment using the Fisher-Methfessel interpretation of how local equilibrium in an inhomogeneous system is maintained to argue that the force acting on a particle is delocalized over a volume with radius equal to a particle diameter. Our interpretation has relevance to the relationship between the scale of inhomogeneity and the utility of translation of the particle MSD into a position dependent diffusion coefficient and to the use of a spatially dependent diffusion coefficient to describe mass transport in a heterogeneous system.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Temperature dependence of the solid-liquid interface free energy of Ni and Al from molecular dynamics simulation of nucleation

The temperature dependence of the solid-liquid interfacial free energy, γ, is investigated for Al and Ni at the undercooled temperature regime based on a recently developed persistent-embryo method. The atomistic description of the nucleus shape is obtained from molecular dynamics simulations. The computed γ shows a linear dependence on the temperature. The values of γ extrapolated to the melting temperature agree well with previous data obtained by the capillary fluctuation method. Here, using the temperature dependence of γ, we estimate the nucleation free energy barrier in a wide temperature range from the classical nucleation theory. The obtained data agree very well with the results from the brute-force molecular dynamics simulations.

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

Highly parallelisable simulations of time-dependent viscoplastic fluid flow with structured adaptive mesh refinement

We present the extension of an efficient and highly parallelisable framework for incompressible fluid flow simulations to viscoplastic fluids. The system is governed by incompressible conservation of mass, the Cauchy momentum equation, and a generalised Newtonian constitutive law. In order to simulate a wide range of viscoplastic fluids, we employ the Herschel-Bulkley model for yield-stress fluids with nonlinear stress-strain dependency above the yield limit. We utilise Papanastasiou regularisation in our algorithm to deal with the singularity in apparent viscosity. The resulting system of partial differential equations is solved using the IAMR (Incompressible Adaptive Mesh Refinement) code, which uses second-order Godunov methodology for the advective terms and semi-implicit diffusion in the context of an approximate projection method to solve adaptively refined meshes. By augmenting the IAMR code with the ability to simulate regularised Herschel-Bulkley fluids, we obtain efficient numerical software for time-dependent viscoplastic flow in three dimensions, which can be used to investigate systems not considered previously due to computational expense. We validate results from simulations using this new capability against previously published data for Bingham plastics and power-law fluids in the two-dimensional lid-driven cavity. In doing so, we expand the range of Bingham and Reynolds numbers which have been considered in the benchmark tests. Moreover, extensions to time-dependent flow of Herschel-Bulkley fluids and three spatial dimensions offer new insights into the flow of viscoplastic fluids in this test case, and we provide missing benchmark results for these extensions.

42 ENGINEERING↗
DOE OSTI2018

Temperature dependence of secondary electron emission: A new route to nanoscale temperature measurement using scanning electron microscopy

Scanning electron microscopy (SEM) is ubiquitous for imaging but is not generally regarded as a tool for thermal measurements. Here, the temperature dependence of secondary electron (SE) emission from a sample's surface is investigated. Spatially uniform SEM images and the net charge flowing through a sample were recorded at different temperatures to quantify the temperature dependence of SE emission and electron absorption. The measurements also demonstrated charge conservation during thermal cycling by placing the sample inside a Faraday cup to capture the emitted SEs and back-scattered electrons from the sample. The temperature dependence of SE emission was measured for four semiconducting materials (Si, GaP, InP, and GaAs) with response coefficients found to be of magnitudes ~100-1000 ppm/K. The detection limits for temperature changes were no more than ±8 °C for 60 s acquisition time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

A simulation-based model for understanding the time dependent x-ray drive asymmetries and error bars in indirectly driven implosions on the National Ignition Facility

Time-dependent low-mode asymmetries are believed to play a leading role in limiting the performance of current inertial confinement fusion implosions on the National Ignition Facility (NIF) [E. I. Moses et al., Phys. Plasmas 16, 041006 (2009)]. These long wavelength modes are initiated and driven by asymmetries in the x-ray flux from the hohlraum; however, the underlying hydrodynamics of the implosion also act to modify and amplify these asymmetries. Here we present here a simulation-based model connecting the time-dependent drive asymmetry seen by the capsule to the measured inflight and hot spot symmetries. This approach is based on a Green's function analysis for which we evaluate the response of the capsule to impulses of drive asymmetry at a series of times. Our model sheds new light on the sensitivity to the drive asymmetry of an imploded capsule, giving a new tool for design. Inverting the problem and finding the drive asymmetry needed to match the experimental data allow us to tightly constrain the drive asymmetry seen by the capsule, providing an error estimate on the result. Doing so, we are able to point out when and how the complex hohlraum simulations start to deviate from what they should obtain to match the experimental data. Ultimately, we project to use this model to make some experimental recommendations to fix the time-dependent low-mode asymmetry of indirectly driven implosions and identify additional measurements to further constrain the asymmetries with a view to improving target design on the NIF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Temperature dependent inverse spin Hall effect in Co/Pt spintronic emitters

In bilayers of ferromagnets and heavy metals, which form the so-called spintronic emitters, the phenomena of ultrafast demagnetization and the inverse spin Hall effect (ISHE) conspire to yield remarkably efficient emission of electric pulses in the THz band. Light-induced demagnetization of the ferromagnet launches a pulse of spin current into the heavy metal, wherein it bifurcates into a radiative charge transient due to the ISHE. The influence of temperature on this combined effect should depend on both the magnetic phase diagram and the microscopic origin of spin Hall conductivity, but its exact dependence remains to be clarified. Here, we experimentally study the temperature dependence of an archetypal spintronic emitter, the Co/Pt bilayer, using electro-optic sampling of the emitted THz pulses in the time domain. The emission amplitude is attenuated with decreasing temperature, consistent with an inverse spin Hall effect in platinum of predominantly intrinsic origin.

Physics↗
DOE OSTI2020

Area and thickness dependence of Auger recombination in nanoplatelets

The ability to control both the thickness and the lateral dimensions of colloidal nanoplatelets offers a test-bed for area and thickness dependent properties in 2D materials. An important example is Auger recombination, which is typically the dominant process by which multiexcitons decay in nanoplatelets. In this report, we uncover fundamental properties of biexciton decay in nanoplatelets by comparing the Auger recombination lifetimes based on interacting and noninteracting formalisms with measurements based on transient absorption spectroscopy. Specifically, we report that electron-hole correlations in the initial biexcitonic state must be included in order to obtain Auger recombination lifetimes in agreement with experimental measurements and that Auger recombination lifetimes depend nearly linearly on the lateral area and somewhat more strongly on the thickness of the nanoplatelet. We also connect these scalings to those of the area and thickness dependencies of single exciton radiative recombination lifetimes, exciton coherence areas, and exciton Bohr radii in these quasi-2D materials.

2D materials↗
DOE OSTI2021

Application of an energy-dependent instrument response function to analysis of nTOF data from cryogenic DT experiments

Neutron time-of-flight (nTOF) detectors are used to diagnose the conditions present in inertial confinement fusion (ICF) experiments and basic laboratory physics experiments performed on an ICF platform. The instrument response function (IRF) of these detectors is constructed by convolution of two components: an x-ray IRF and a neutron interaction response. The shape of the neutron interaction response varies with incident neutron energy, changing the shape of the total IRF. Analyses of nTOF data that span a broad range of energies must account for this energy-dependence in order to accurately infer plasma parameters and nuclear properties in ICF experiments. This work briefly reviews a matrix multiplication approach to convolution which allows for an energy-dependent change in the shape of the IRF. This method is applied to synthetic data resembling symmetric cryogenic DT implosions to examine the effect of the energy-dependent IRF on the inferred areal density. Here, results of forward fits that infer ion temperatures and areal densities from nTOF data collected during cryogenic DT experiments on OMEGA are also discussed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

On the molecular correlations that result in field-dependent conductivities in electrolyte solutions

Employing recent advances in response theory and nonequilibrium ensemble reweighting, we study the dynamic and static correlations that give rise to an electric field-dependent ionic conductivity in electrolyte solutions. We consider solutions modeled with both implicit and explicit solvents, with different dielectric properties, and at multiple concentrations. Implicit solvent models at low concentrations and small dielectric constants exhibit strongly field-dependent conductivities. We compare these results to Onsager-Wilson theory of the Wien effect, which provides a qualitatively consistent prediction at low concentrations and high static dielectric constants but is inconsistent away from these regimes. The origin of the discrepancy is found to be increased ion correlations under these conditions. Explicit solvent effects act to suppress nonlinear responses, yielding a weakly field-dependent conductivity over the range of physically realizable field strengths. By decomposing the relevant time correlation functions, we find that the insensitivity of the conductivity to the field results from the persistent frictional forces on the ions from the solvent. Our findings illustrate the utility of nonequilibrium response theory in rationalizing nonlinear transport behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Temperature-dependent x-ray fluorescent response from thermographic phosphors under x-ray excitation

Phosphor thermometry has been successfully applied within several challenging environments. Typically, the thermographic phosphors are excited by an ultraviolet light source, and the temperature-dependent spectral or temporal response is measured. However, this is challenging or impossible in optically thick environments. In addition, emission from other sources (e.g., a flame) may interfere with the optical phosphor emission. Furthermore, a temperature dependent x-ray excitation/emission could alleviate these issues as x-rays could penetrate obscurants with no interference from flame luminosity. In addition, x-ray emission could allow for thermometry within solids while simultaneously x-ray imaging the structural evolution. In this study, select thermographic phosphors were excited via x-ray radiation, and their x-ray emission characteristics were measured at various temperatures. Several of the phosphors showed varying levels of temperature dependence with the strongest sensitivity occurring for YAG:Dy and ZnGa 2 O 4 :Mn. This approach opens a path for less intrusive temperature measurements, particularly in optically opaque multiphase and solid phase combustion environments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗