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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 OSTI2018

Critical Phase-Transition Current in Niobium Nitride Thin Films

Abstract—The effect of current and magnetic field on the transition to the superconducting state in niobium nitride thin films has been studied. The critical current dependences of the films on the temperature and magnetic field in the transition region have been determined. Within the framework of models of a normal domain and quasiparticle heating during viscous flow of a magnetic flux, the functional dependences of the critical current have been determined in close vicinity of the superconducting transition temperature. Using the theory of electron heating, we have determined the time of the electron energy relaxation. We also estimated the electron-phonon and the electron-electron inelastic scattering times, the diffusion coefficient of electrons, and heat transfer coefficient.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Phase Transitions in Lead Hafnate under High Pressure

The effect of hydrostatic pressure on phase transitions in lead hafnate (PbHfO{sub 3}) has been studied by the methods of X-ray diffraction and X-ray diffuse scattering. The measurements were performed in the temperature range of 182 < T < 316°C and the pressure range of 1.6 < P < 2.6 GPa. Four regions characterized by different X-ray diffraction patterns and corresponding to an antiferroelectric phase, phases with a long-wavelength modulation of the lead sublattice, and phases with different distortions of the oxygen sublattice are identified. In the temperature region immediately above the region of phases with a long-wavelength modulation, a temperature-dependent maximum in the distribution of diffuse scattering was detected, which means that such a modulation is formed due to condensation of an incommensurate soft mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

On the electromagnetic scattering from infinite rectangular conducting grids

The study and development of two numerical techniques for the analysis of electromagnetic scattering from a rectangular wire mesh are described. Both techniques follow from one basic formulation and they are both solved in the spectral domain. These techniques were developed as a result of an investigation towards more efficient numerical computation for mesh scattering. These techniques are efficient for the following reasons: (a1) make use of the Fast Fourier Transform; (b2) they avoid any convolution problems by converting integrodifferential equations into algebraic equations; and (c3) they do not require inversions of any matrices. The first method, the SIT or Spectral Iteration Technique, is applied for regions where the spacing between wires is not less than two wavelengths. The second method, the SDCG or Spectral Domain Conjugate Gradient approach, can be used for any spacing between adjacent wires. A study of electromagnetic wave properties, such as reflection coefficient, induced currents and aperture fields, as functions of frequency, angle of incidence, polarization and thickness of wires is presented. Examples and comparisons or results with other methods are also included to support the validity of the new algorithms.

Christodoulou, C.↗
NASA NTRS1994

Mesospheric and lower thermospheric winds, temperatures densities, and volume emission rates

This memo has been written to report on the progress made under grant NAG1-1315 and to request a continuation of funding for this work. Our proposal involved a plan to utilize an existing ground-based chain of optical and radar facilities to assemble a comprehensive, long-term, multi-station base of upper-mesospheric and lower thermospheric measurements of neutral winds, temperatures, and volume emission rates that can be used to make comparisons with data from the HRDI and WINDII instruments that are flying aboard the UARS spacecraft. The ground-based, optical data were to be obtained on a routine basis from five geographically separated observatories at: Thule, Greenland; Sondrestrom, Greenland; Watson Lake, Yukon (replacing Calgary, Alberta); Ann Arbor, Michigan; and Maynooth, Eire. Several different optical instruments are present at these sites: the total array of instruments is comprised of five Fabry-Perot interferometers, two half meter Ebert-Fastie spectrometers, one all-sky CCD imager, and a near infra-red Michelson Fourier transform spectrometer. In addition to these optical instruments, data were to be obtained from the incoherent scatter radar at Sondrestrom, Greenland. These radar measurements are comprised of neutral winds, temperatures, and densities from altitudes between approximately 70 - 120 km. The optical measurements are obtained locally from specific altitudes depending on the emission line studied. For example, red line optical data come from about 220 km. In this report we summarize the progress made in obtaining these data and relate it to the specific tasks outlined in the original grant application. These tasks are discussed in the next section. Progress towards their completion is discussed in section three, while future plans and summary are described in section four.

Killeen, Timothy L.↗
DOE OSTI2021

Superposition of intra- and inter-layer excitons in twistronic MoSe 2 /WSe 2 bilayers probed by resonant Raman scattering

Abstract Hybridisation of electronic bands of two-dimensional materials, assembled into twistronic heterostructures, enables one to tune their optoelectronic properties by selecting conditions for resonant interlayer hybridisation. Resonant interlayer hybridisation qualitatively modifies the excitons in such heterostructures, transforming these optically active modes into superposition states of interlayer and intralayer excitons. For MoSe 2 /WSe 2 heterostructures, strong hybridization of both single particle and excitonic states can occur via single particle tunnelling. Here we use resonance Raman scattering to provide direct evidence for the hybridisation of excitons in twistronic MoSe 2 /WSe 2 structures, by observing scattering of specific excitons by phonons in both WSe 2 and MoSe 2 . We also demonstrate that resonance Raman scattering spectroscopy opens up a wide range of possibilities for quantifying the layer composition of the superposition states of the exciton and the interlayer hybridisation parameters in heterostructures of two-dimensional materials.

Materials Science↗
DOE OSTI2015

An investigation of resonances in e{sup +}-H scattering embedded in Debye plasma

We carry out calculations for S-wave and P-wave resonances in e{sup +}-H scattering in weakly coupled Debye plasma in which the interaction between two charged particles is represented by a screened Coulomb potential. We employ the complex-scaling method with Hylleraas-type basis set to take correlation effects into account. In the complex-scaling treatment of the screened Coulomb potential, we first perform a Taylor series expansion for the exponential function that contains the distance r between two particles into a polynomial with various powers r{sup n}. We then make the complex scaling transformation of r→r e{sup iθ} in the expansion. The complex resonant eigenvalues are obtained by searching for stabilized points in the complex energy plane with respect to the changes of rotational angle θ and other parameters in the basis set.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Permanent-magnet energy spectrometer for electron beams from radiotherapy accelerators

Purpose: The purpose of this work was to adapt a lightweight, permanent magnet electron energy spectrometer for the measurement of energy spectra of therapeutic electron beams. Methods: An irradiation geometry and measurement technique were developed for an approximately 0.54-T, permanent dipole magnet spectrometer to produce suitable latent images on computed radiography (CR) phosphor strips. Dual-pinhole electron collimators created a 0.318-cm diameter, approximately parallel beam incident on the spectrometer and an appropriate dose rate at the image plane (CR strip location). X-ray background in the latent image, reduced by a 7.62-cm thick lead block between the pinhole collimators, was removed using a fitting technique. Theoretical energy-dependent detector response functions (DRFs) were used in an iterative technique to transform CR strip net mean dose profiles into energy spectra on central axis at the entrance to the spectrometer. These spectra were transformed to spectra at 95-cm source to collimator distance (SCD) by correcting for the energy dependence of electron scatter. The spectrometer was calibrated by comparing peak mean positions in the net mean dose profiles, initially to peak mean energies determined from the practical range of central-axis percent depth-dose (%DD) curves, and then to peak mean energies that accounted for how the collimation modified the energy spectra (recalibration). The utility of the spectrometer was demonstrated by measuring the energy spectra for the seven electron beams (7–20 MeV) of an Elekta Infinity radiotherapy accelerator. Results: Plots of DRF illustrated their dependence on energy and position in the imaging plane. Approximately 15 iterations solved for the energy spectra at the spectrometer entrance from the measured net mean dose profiles. Transforming those spectra into ones at 95-cm SCD increased the low energy tail of the spectra, while correspondingly decreasing the peaks and shifting them to slightly lower energies. Energy calibration plots of peak mean energy versus peak mean position of the net mean dose profiles for each of the seven electron beams followed the shape predicted by the Lorentz force law for a uniform z-component of the magnetic field, validating its being modeled as uniform (0.542 ± 0.027 T). Measured Elekta energy spectra and their peak mean energies correlated with the 0.5-cm (7–13 MeV) and the 1.0-cm (13–20 MeV) R{sub 90} spacings of the %DD curves. The full-width-half-maximum of the energy spectra decreased with decreasing peak mean energy with the exception of the 9-MeV beam, which was anomalously wide. Similarly, R{sub 80–20} decreased linearly with peak mean energy with the exception of the 9 MeV beam. Both were attributed to suboptimal tuning of the high power phase shifter for the recycled radiofrequency power reentering the traveling wave accelerator. Conclusions: The apparatus and analysis techniques of the authors demonstrated that an inexpensive, lightweight, permanent magnet electron energy spectrometer can be used for measuring the electron energy distributions of therapeutic electron beams (6–20 MeV). The primary goal of future work is to develop a real-time spectrometer by incorporating a real-time imager, which has potential applications such as beam matching, ongoing beam tune maintenance, and measuring spectra for input into Monte Carlo beam calculations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Exploring Functional Materials by Understanding Beam‐Sample Interactions

Abstract Ultra‐low‐dose electron diffraction is performed with a double metal cyanide catalyst (DMC) to understand how electron irradiation stimulates structural alterations in functional materials. The commonly fading diffraction patterns with dose accumulation depend on the irradiated area and the beam current even when below 50 femto Amperes. Heat generation is observed and modeled by statistical, inelastic scattering events to describe how phonon excitations modulate radiation hardness. Specifically, the characteristic 1/e‐decay of Bragg intensities from DMC is delayed from 6 to 30 eÅ −2 at room temperature, which is comparable to the effect of embedding radiation soft matter in ice. DMC's radiation hardness is enhanced by a latency dose that forms during a phase transformation. This unifying model predicts that a critical dose rate exists for any material that varies between 0.1 and 10 4 eÅ −2 s −1 because of a material dependent competition of heat generation and spread. It shows that Brillouin scattering causes time dependent perturbations in electron irradiated solids that trigger time‐temperature‐transformations on a time scale of nanoseconds to microseconds at room temperature, which is not included in traditional models describing the decay of Bragg intensities by radiolysis.

Kisielowski, Christian↗
DOE OSTI2014

Photo-induced oxidation and amorphization of trigonal tellurium: A means to engineer hybrid nanostructures and explore glass structure under spatial confinement

Controlled photo-induced oxidation and amorphization of elemental trigonal tellurium are achieved by laser irradiation at optical wavelengths. These processes are monitored in situ by time-resolved Raman scattering and ex situ by electron microscopies. Ultrathin TeO₂ films form on Te surfaces, as a result of irradiation, with an interface layer of amorphous Te intervening between them. It is shown that irradiation, apart from enabling the controllable transformation of bulk Te to one-dimensional nanostructures, such as Te nanotubes and hybrid core-Te/sheath-TeO₂ nanowires, causes also a series of light-driven (athermal) phase transitions involving the crystallization of the amorphous TeO₂ layers and its transformation to a multiplicity of crystalline phases including the γ-, β-, and α-TeO₂ crystalline phases. The kinetics of the above photo-induced processes is investigated by Raman scattering at various laser fluences revealing exponential and non-exponential kinetics at low and high fluence, respectively. In addition, the formation of ultrathin (less than 10 nm) layers of amorphous TeO₂ offers the possibility to explore structural transitions in 2D glasses by observing changes in the short- and medium-range structural order induced by spatial confinement.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Scattering and bound states of fermions in a mixed vector–scalar smooth step potential

The scattering of a fermion in the background of a smooth step potential is considered with a general mixing of vector and scalar Lorentz structures with the scalar coupling stronger than or equal to the vector coupling. Charge-conjugation and chiral-conjugation transformations are discussed and it is shown that a finite set of intrinsically relativistic bound-state solutions appears as poles of the transmission amplitude. It is also shown that those bound solutions disappear asymptotically as one approaches the conditions for the realization of the so-called spin and pseudospin symmetries in a four-dimensional space–time. - Highlights: • Scattering and bound states of fermions in a kink-like potential. • No pair production despite the high localization. • No bounded solution under exact spin and pseudospin symmetries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Shape Dependence of Pressure-Induced Phase Transition in CdS Semiconductor Nanocrystals

Understanding structural stability and phase transformation of nanoparticles under high pressure is of great scientific interest, as it is one of the crucial factors for design, synthesis, and application of materials. Even though high-pressure research on nanomaterials has been widely conducted, their shape-dependent phase transition behavior still remains unclear. Examples of phase transitions of CdS nanoparticles are very limited, despite the fact that it is one of the most studied wide band gap semiconductors. Here we have employed in-situ synchrotron wide-angle X-ray scattering (WAXS) and transmission electron microscopy (TEM) to investigate the high-pressure behaviors of CdS nanoparticles as a function of particle shapes. We observed that CdS nanoparticles transform from wurtzite to rocksalt phase at elevated pressure in comparison to their bulk counterpart. Phase transitions also vary with particle shape—rod-shaped particles show a partially reversible phase transition and the onset of the structural phase transition pressure decreases with decreasing surface-to-volume ratios, while spherical particles undergo irreversible phase transition with relatively low phase transition pressure. Additionally, TEM images of spherical particles exhibited sintering-induced morphology change after high-pressure compression. Calculations of the bulk modulus reveals that spheres are more compressible than rods in the wurtzite phase. These results indicate that the shape of the particle plays an important role in determining their high-pressure properties. Our study provides important insights into understanding of the phase-structure-property relationship, guiding future design and synthesis of nanoparticles for promising applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Coupling of organic cation and inorganic lattice in methylammonium lead halide perovskites: Insights into a pressure-induced isostructural phase transition

Organic-inorganic hybrid metal-halide perovskite (OIHP) materials provide a tunable platform for engineering their optoelectronic properties. Although several high-pressure studies have been conducted from the OIHP family of single crystals and films, the exact nature of the dynamic coupling of the CH 3 NH 3 (MA) cation with the octahedral lattice framework and the mechanisms responsible for the structural phase transformation under pressure are not well captured. By combined photoluminescence (PL), synchrotron-based x-ray diffraction, and Raman-scattering studies as a function of pressure from methylammonium lead bromide (MAPbBr 3 ), we shed light on an isostructural phase transition due to the coupling of the MA cation and the PbBr 6 lattice through hydrogen bonding. The sharp discontinuities at ~ 1 GPa and ~ 3 GPa in the PL peak positions correlate with the structural changes observed in high-pressure XRD and Raman-scattering studies. The electronic band edge as a function of pressure is calculated within density-functional theory. The PL peak position, intensity and width of the excitonic peak show significant changes at 2 GPa, which corroborate the changes observed in high-pressure Raman-scattering studies. The frequencies of the lattice modes and the C-H/N-H bending and stretching modes of the MA cation show anomalous changes and other nuances at 2 GPa. The suppression of rotational and orientational disorder of the organic moiety is initiated at 2 GPa and the ordering is completed by 3.0 GPa, leading to an order-disorder type cubic II (Im$\overline{3}$) to orthorhombic ( Pnma ) phase transition. Along with the revelation of an isostructural transformation at 2 GPa, this paper highlights the impact of molecular vibrations on the electronic properties of MAPbBr 3 under pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Phonons and defects in semiconductors and nanostructures: Phonon trapping, phonon scattering, and heat flow at heterojunctions

Defects in semiconductors introduce vibrational modes that are distinct from bulk modes because they are spatially localized in the vicinity of the defect. Light impurities produce high-frequency modes often visible by Fourier-transform infrared absorption or Raman spectroscopy. Their vibrational lifetimes vary by orders of magnitude and sometimes exhibit unexpectedly large isotope effects. Heavy impurities introduce low-frequency modes sometimes visible as phonon replicas in photoluminescence bands. But other defects such as surfaces or interfaces exhibit spatially localized modes (SLMs) as well. All of them can trap phonons, which ultimately decay into lower-frequency bulk phonons. When heat flows through a material containing defects, phonon trapping at localized modes followed by their decay into bulk phonons is usually described in terms of phonon scattering: defects are assumed to be static scattering centers and the properties of the defect-related SLMs modes are ignored. These dynamic properties of defects are important. In this paper, we quantify the concepts of vibrational localization and phonon trapping, distinguish between normal and anomalous decay of localized excitations, discuss the meaning of phonon scattering in real space at the atomic level, and illustrate the importance of phonon trapping in the case of heat flow at Si/Ge and Si/C interfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Simulating pitch angle scattering using an explicitly solvable energy-conserving algorithm

Particle distribution functions evolving under the Lorentz operator can be simulated with the Langevin equation for pitch angle scattering. This approach is frequently used in particle based Monte-Carlo simulations of plasma collisions, among others. However, most numerical treatments do not guarantee energy conservation, which may lead to unphysical artifacts such as numerical heating and spectra distortions. In this paper, we present a novel structure-preserving numerical algorithm for the Langevin equation for pitch angle scattering. Similar to the well-known Boris algorithm, the proposed numerical scheme takes advantage of the structure-preserving properties of the Cayley transform when calculating the velocity-space rotations. The resulting algorithm is explicitly solvable, while preserving the norm of velocities down to machine precision. We demonstrate that the method has the same order of numerical convergence as the traditional stochastic Euler-Maruyama method. The numerical scheme is benchmarked by simulating the pitch angle scattering of a particle beam, and comparing with the analytical solution. Benchmark results show excellent agreement with theoretical predictions, showcasing the remarkable long time accuracy of the proposed algorithm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Minimal entanglement and emergent symmetries in low-energy QCD

Here, we study low-energy scattering of spin-$\frac{1}{2}$ baryons from the perspective of quantum information science, focusing on the correlation between entanglement minimization and the appearance of accidental symmetries. The baryon transforms as an octet under the SU⁡(3) flavor symmetry and its interactions below the pion threshold are described by contact operators in an effective field theory (EFT) of QCD. Despite there being 64 channels in the 2-to-2 scattering, only six independent operators in the EFT are predicted by SU⁡(3). We show that successive entanglement minimization in SU⁡(3)-symmetric channels are correlated with increasingly large emergent symmetries in the EFT. In particular, we identify scattering channels whose entanglement suppression are indicative of emergent SU⁡(6), SO⁡(8), SU⁡(8), and SU⁡(16) symmetries. We also observe the appearance of non-relativistic conformal invariance in channels with unnaturally large scattering lengths. Improved precision from lattice simulations could help determine the degree of entanglement suppression, and consequently the amount of accidental symmetry, in low-energy QCD.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1985

Coupled atmosphere/canopy model for remote sensing of plant reflectance features

Solar radiative transfer through a coupled system of atmosphere and plant canopy is modeled as a multiple-scattering problem through a layered medium of random scatterers. The radiative transfer equation is solved by the discrete-ordinates finite-element method. Analytic expressions are derived that allow the calculation of scattering and absorption cross sections for any plant canopy layer form measurable biophysical parameters such as the leaf area index, leaf angle distribution, and individual leaf reflectance and transmittance data. An expression for a canopy scattering phase function is also given. Computational results are in good agreement with spectral reflectance measurements directly above a soybean canopy, and the concept of greenness- and brightness-transforms of Landsat MSS data is reconfirmed with the computed results. A sensitivity analysis with the coupled atmosphere/canopy model quantifies how satellite-sensed spectral radiances are affected by increased atmospheric aerosols, by varying leaf area index, by anisotropic leaf scattering, and by non-Lambertian soil boundary conditions. Possible extensions to a 2-D model are also discussed.

Gerstl, S. A.↗
DOE OSTI2022

Thermal neutron scattering cross sections for amorphous carbon

Carbon materials are commonly found in both nuclear reactors and experimental systems. Various carbon structures occur in nuclear applications ranging from crystalline and nuclear graphite to the amorphous carbon seen in next-generation advanced reactor designs. Amorphous carbon is based on a randomized graphite-like structure and offers the unique ability to disperse impurities throughout the bulk composition. A graphite-like amorphous carbon system was modeled using the classical molecular dynamics (MD) code LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). An improved version of the temperature-dependent Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used to model the carbon-carbon atomic interactions for the temperature at 300 K along with densities 1.60, 1.70, 1.85, and 2.23 g/cm{sup 3}. From the normalized velocity autocorrelation function (VACF), the phonon density of state (DOS) was then calculated as the Fourier transform of the normalized VACF. This DOS was then used as the primary input for the evaluation of the thermal scattering law (TSL, i.e. S(α,β)) and associated neutron thermal scattering cross sections. The TSL was analyzed using the Full Law Analysis Scattering System Hub (FLASSH). The amorphous structure results in shifts of the phonon DOS to lower energy modes than typically displayed for ideal crystalline graphite. This impact on the DOS is directly reflected in the TSL. Furthermore, the typical optical peak at 0.25 eV for the ideal graphite disappears for amorphous carbon, in good agreement with the expected structure. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Thermal Neutron Scattering Cross Sections for Graphitic Amorphous Carbon

Carbon materials are commonly found in both nuclear reactors and experimental systems. Various carbon structures occur in nuclear applications ranging from crystalline and nuclear graphite to the amorphous carbon seen in next-generation advanced reactor designs. Amorphous carbon is based on a randomized graphite-like structure and offers the unique ability to disperse impurities throughout the bulk composition. A graphite-like amorphous carbon system was modeled using the classical molecular dynamics (MD) code LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). An improved version of the temperature-dependent Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used to model the carbon-carbon atomic interactions for the temperature at 300 K along with densities 1.60, 1.70, 1.85, and 2.23 g/cm 3 . From the normalized velocity autocorrelation function (VACF), the phonon density of state (DOS) was then calculated as the Fourier transform of the normalized VACF. This DOS was then used as the primary input for the evaluation of the thermal scattering law (TSL, i.e. S(α,β)) and associated neutron thermal scattering cross sections. The TSL was analyzed using the Full Law Analysis Scattering System Hub (FLASSH). The amorphous structure results in shifts of the phonon DOS to lower energy modes than typically displayed for ideal crystalline graphite. This impact on the DOS is directly reflected in the TSL. Furthermore, the typical features and the optical graphitic peak at 0.25 eV for the ideal graphite DOS disappear for graphite-like amorphous carbon, which shows good agreement with the expected structure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗