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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

High-resolution X-ray diffraction analysis of Al{sub x}Ga{sub 1−x}N/In{sub x}Ga{sub 1−x}N/GaN on sapphire multilayer structures: Theoretical, simulations, and experimental observations

The work presents a comparative study on the effects of In incorporation in the channel layer of AlGaN/GaN type-II heterostructures grown on c-plane sapphire by Plasma Assisted Molecular Beam Epitaxy. The structural characterizations of these samples were performed by High-Resolution X-Ray Diffraction (HRXRD), X-ray Reflectivity (XRR), Field Emission Scanning Electron Microscopy, and High Resolution Transmission Electron Microscopy. The two-dimensional electron gas in the AlGaN/GaN and AlGaN/InGaN interface was analyzed by electrochemical capacitance voltage and compared with theoretical results based on self-consistent solution of Schördinger–Poisson equations. The carrier profile shows enhanced confinement in InGaN channel (1.4393 × 10{sup 13} cm{sup −2} compared to 1.096 × 10{sup 13} cm{sup −2} in GaN). On the basis of HRXRD measurements, the stress-strain of the layers was examined. The c- and a-lattice parameters of the epilayers as well as in-plane and out-of plane strains were determined from the ω-2θ for symmetric scan and ω-Xθ (X represents the coupling coefficient) for asymmetric scan. Strain, tilt, and correlation lengths were calculated from Williamson–Hall plots, whereas stress was examined from modified plot of the same data assuming Uniform Stress Deformation Model. Moreover, the twist angle was measured from skew symmetric scan of (102), (103), and (105) plane along with (002) symmetric plane. The composition and strain/relaxation state of the epilayers were observed in detail by reciprocal space mapping (RSM). The symmetric (002) triple axis RSM and asymmetric (105 and 114) double axis RSM of grazing incidence and exit geometry were carried out on each sample. The defect density was measured from HRXRD curves of skew symmetric (002) and (102) reflection plane. The Al and In mole fraction and strain states of the layers were calculated by fitting the experimental curves with computer simulations and compared with theoretical findings based on elastic theory. The thicknesses of the layers and roughness of the interfaces were measured from simulation of the nominal structure by fitting with XRR experimental curves. The HRXRD measured thicknesses of the layers were further confirmed by cross sectional electron micrographs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Linear electrostatic waves in a three-component electron-positron-ion plasma

Analytical linear electrostatic waves in a magnetized three-component electron-positron-ion plasma are studied in the low-frequency limit. By using the continuity and momentum equations with Poisson's equation, the dispersion relation for the electron-positron-ion plasma consisting of cool ions, and hot Boltzmann electrons and positrons is derived. In the linear regime, the propagation of two possible modes and their evolution are studied. In the cases of parallel and perpendicular propagation, it is shown that these two possible modes are always stable. The present investigation contributes to nonlinear propagation of electrostatic waves in space and the laboratory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

A one-dimensional time-dependent model for studying oxide film growth on metallic surfaces

Corrosion resistance of industrial metals and alloys is largely imparted by the formation of a stable oxide film on the surface that kinetically limits the process of corrosion. Developing a fundamental knowledge of the processes involved in the oxide layer formation and growth is thus important for designing corrosion-resistant alloys. In this work, a model for oxide growth tracking two species (the oxygen and metal vacancies) was presented. The model accounted for species transport and interfacial chemistry. The potential profile was obtained by solving the Poisson equation without needing to invoke the typical linear assumption. Moreover, the fully time-dependent concentration and potential profiles were obtained and the oxide thickness was allowed to evolve by allowing the movement of the domain boundaries at either end. The results were analyzed and the effects of different parameters on the model were discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Instability of an electron-plasma shear layer in an externally imposed strain flow

The E x B shear instability of a two-dimensional (2D) filament (i.e., a thin, rectangular strip perpendicular to the magnetic field) of magnetized pure electron plasma is investigated experimentally in the presence of an externally imposed strain flow. Data are acquired using a specialized Penning–Malmberg trap in which strain flows can be applied in 2D by biasing segmented electrodes surrounding the plasma. The E x B drift dynamics are well-described by the Drift-Poisson equations, which are isomorphic to the 2D Euler equations describing ideal fluids. Thus, the experimental results correspond to the Rayleigh instability of a shear layer in a 2D ideal fluid, where the electron density is analogous to the fluid vorticity. Shear layers are prepared by stretching initially axisymmetric electron vortices using a strong, applied strain flow. The data at early times are in quantitative agreement with a linear model which extends Rayleigh’s work to account for the influence of an external strain flow. In the presence of weak strain, the system approximately maintains a phase relationship that corresponds to an instantaneous Rayleigh eigenmode. The instability develops into the nonlinear regime later in time and at smaller spatial scales as the strain rate is increased. A secondary vortex pairing instability is observed, but it is suppressed when the strain-to-vorticity ratio exceeds roughly 0.025. In this way, vorticity transport perpendicular to the filament is diminished due to the applied strain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

First coupled GENE–XGC microturbulence simulations

Covering the core and the edge region of a tokamak, respectively, the two gyrokinetic turbulence codes Gyrokinetic Electromagnetic Numerical Experiment (GENE) and X-point Gyrokinetic Code (XGC) have been successfully coupled by exchanging three-dimensional charge density data needed to solve the gyrokinetic Poisson equation over the entire spatial domain. Certain challenges for the coupling procedure arise from the fact that the two codes employ completely different numerical methods. This includes, in particular, the necessity to introduce mapping procedures for the transfer of data between the unstructured triangular mesh of XGC and the logically rectangular grid (in a combination of real and Fourier space) used by GENE. Constraints on the coupling scheme are also imposed by the use of different time integrators. First, coupled simulations are presented. We have considered collisionless ion temperature gradient turbulence, in both circular and fully shaped plasmas. Coupled simulations successfully reproduce both GENE and XGC reference results, confirming the validity of the code coupling approach toward a whole device model. Here, many lessons learned in the present context, in particular, the need for a coupling procedure as flexible as possible, should be valuable to our and other efforts to couple different kinds of codes in pursuit of a more comprehensive description of complex real-world systems and will drive our further developments of a whole device model for fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Distinguishing bulk and surface recombination in CdTe thin films and solar cells using time-resolved terahertz and photoluminescence spectroscopies

Understanding the nature of recombination and its dependence on defects and interfaces is essential for engineering materials and contacts for higher open circuit voltage (V oc ) and power conversion efficiency in photovoltaic (PV) devices. Time-resolved photoluminescence (TRPL) has conventionally been used to evaluate recombination, but carrier redistribution often dominates the response at short times. In this work, we report on the quantification of carrier dynamics and recombination mechanisms by complementary use of both time-resolved terahertz spectroscopy (TRTS) and TRPL combined with numerical modeling of the continuity equations and Poisson’s equation. We have demonstrated this approach using CdTe thin films. A thin film stack with CdTe fabricated by vapor transport deposition and treated with CdCl 2 exhibited a bulk lifetime of 1.7 ± 0.1 ns, negligible CdTe/CdS interface recombination velocity, and back surface recombination velocity of 6.3 ± 1.3 x10 4 cm/s. In contrast, a film stack without CdCl 2 treatment had a bulk lifetime of only 68 ± 12 ps and a higher interface recombination velocity of 4 ± 2 x10 8 cm/s. By determining the locus and mechanisms of performance-limiting recombination, we can accelerate the development of thin-film PVs with higher V oc and efficiency. While the method has been demonstrated here using CdTe, it is also applicable to perovskites, Cu(InGa)Se 2 , Cu2ZnSn(S,Se) 4, and emerging technologies.

14 SOLAR ENERGY↗
DOE OSTI2024

Hybrid particle-spectral method for kinetic plasma simulations

A hybrid model for numerical solutions of the Vlasov–Poisson equations is presented, which blends spectral and particle approaches. The model splits the distribution function for plasma species into both spectral and particle representations in the velocity space to combine the advantages of each approach. The spectral representation leverages asymmetrically weighted Hermite basis, whereas the particle representation leverages the particle-in-cell method. Configuration phase space is decomposed with the Fourier method, which is well suited for periodic problems. We derive conservation equations for mass, momentum, and energy for the proposed combined method. It is shown that the coupling error between the two methods is absent in the semi-discrete setting (not taking into account time discretization). Finally, numerical test cases are presented simulating a weak electron beam interaction with plasma, leading to beam–plasma instability. The initially localized electron beam evolved into a highly non-equilibrium distribution function in the velocity space. A small growth rate and the resonance nature of instability make it difficult to obtain accurate solutions for purely particle methods due to noise, which falls as ∼1/Np with a number of particles. At the same time, purely spectral methods may require a large number of modes to capture the highly non-equilibrium state of the evolved beam. We show that the hybrid method is well suited for such problems: it reproduces the linear stage as well as nonlinear dynamics with sufficient accuracy using a highly non-equilibrium distribution function.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

High-resolution particle-in-cell simulations of two-dimensional Bernstein–Greene–Kruskal modes

We present two-dimensional (2D) particle-in-cell (PIC) simulations of 2D Bernstein–Greene–Kruskal modes, which are exact nonlinear steady-state solutions of the Vlasov–Poisson equations, on a 2D plane perpendicular to a background magnetic field, with a cylindrically symmetric electric potential localized on the plane. PIC simulations are initialized using analytic electron distributions and electric potentials from the theory. We confirm the validity of such solutions using high-resolutions up to a 20482 grid. We show that the solutions are dynamically stable for a stronger background magnetic field, while keeping other parameters of the model fixed, but become unstable when the field strength is weaker than a certain value. When a mode becomes unstable, we observe that the instability begins with the excitation of azimuthal electrostatic waves that ends with a spiral pattern.

Physics↗
DOE OSTI2024

Vortex splitting in two-dimensional fluids and non-neutral electron plasmas with smooth vorticity profiles

Initially, elliptical, quasi-two-dimensional (2D) fluid vortices can split into multiple pieces if the aspect ratio is sufficiently large due to the growth and saturation of perturbations known as Love modes on the vortex edge. Presented here are experiments and numerical simulations, showing that the aspect ratio threshold for vortex splitting is significantly higher for vortices with realistic, smooth edges than that predicted by a simple “vortex patch” model, where the vorticity is treated as piecewise constant inside a deformable boundary. The experiments are conducted by exploiting the E × B drift dynamics of collisionless, pure electron plasmas in a Penning–Malmberg trap, which closely model 2D vortex dynamics due to an isomorphism between the Drift–Poisson equations describing the plasmas and the Euler equations describing ideal fluids. The simulations use a particle-in-cell method to model the evolution of a set of point vortices. The aspect ratio splitting threshold ranges up to about twice as large as the vortex patch prediction and depends on the edge vorticity gradient. This is thought to be due to spatial Landau damping, which decreases the vortex aspect ratio over time and, thus, stabilizes the Love modes. Near the threshold, asymmetric splitting events are observed in which one of the split products contains much less circulation than the other. These results are relevant to a wide range of quasi-2D fluid systems, including geophysical fluids, astrophysical disks, and drift-wave eddies in tokamak plasmas.

Physics↗
DOE OSTI2024

A variational method for the sheath potential of hypersonic leading edges with space-charge limitations

Electron transpiration cooling for the leading edges (LE) of hypersonic aircraft utilizes thermionic emission; however, space-charge effects limit the electron emission rate, potentially diminishing the efficiency of this cooling mechanism. We develop a variational weak form of the Poisson equation that describes the sheath potential and then numerically solve it using the finite element method. This formulation has two main benefits: (1) the space-charge limit condition can be incorporated as a constraint and (2) it allows for the analysis of three-dimensional geometries with complex boundary conditions. We demonstrate that the current emitted from the surface of an LE is generally a small fraction of the Child–Langmuir limit due to space charge. We then propose several methods to enhance the emitted current from the surface and to boost the cooling effect of thermionic emission. These include increasing the plasma density, applying a negative surface potential, and using fringe fields under suitable geometric conditions. For a LaB6 emitting LE, the total emitted current is shown to be minimal and independent of the temperature of a surface with floating potential. However, when a negative potential is applied and the surface is heated, the emitted current follows the Richardson–Dushman relationship up to a critical temperature, beyond which it remains constant. At an applied surface potential of −5 V, the critical temperature is around 1700 K.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Drift kinetic electrostatic simulations of the edge localized mode heat pulse

In the present work, electrostatic drift kinetic simulations of parallel plasma transport within the tokamak scrape-off layer (SOL) are conducted using the COGENT code. The SOL configuration is represented in one-dimensional slab geometry, incorporating a heat source localized in the midplane. The heat source parameters correspond to those characterizing edge-localized modes observed in the Joint European Torus (JET) tokamak. The numerical model includes kinetic treatment of both ions and electrons, a simplified model for the gyrokinetic Poisson equation that allows one to step over short time scales associated with fast electrostatic shear Alfvèn waves, and the logical sheath boundary condition (LSBC) that enforces global system quasineutrality. A third-order accurate LSBC is derived to be consistent with the third-order accurate upwind advection scheme utilized in the code, and it was shown to noticeably impact the simulation results, especially parallel heat flux at the target plate. The findings of this study are in agreement with results from preceding fluid and kinetic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Phase control of group velocity of light in an InGaN/GaN quantum dot nanostructure

By solving self-consistently Schrödinger–Poisson equations for a carrier in the conduction band of an InGaN/GaN quantum dot, a four-level quantum system is described. It is found that in the presence of terahertz signal radiation, the medium becomes phase dependent, which ensures the phase control of the group velocity of a weak probe pulse from slow to fast light. (nonlinear optical phenomena)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Implicit and coupled fluid plasma solver with adaptive Cartesian mesh and its applications to non-equilibrium gas discharges

In this work, we present a new fluid plasma solver with adaptive Cartesian mesh (ACM) based on a full-Newton (nonlinear, implicit) scheme for non-equilibrium gas discharge plasma. The electrons and ions are described using drift-diffusion approximation coupled to Poisson equation for the electric field. The electron-energy transport equation is solved to account for electron thermal conductivity, Joule heating, and energy loss of electrons in collisions with neutral species. The rate of electron-induced ionization is a function of electron temperature and could also depend on electron density (important for plasma stratification). The ion and gas temperature are kept constant. The transport equations are discretized using a non-isothermal Scharfetter-Gummel scheme to resolve possible large temperature gradients in the sheaths. We demonstrate the new solver for simulations of direct current (DC) and radiofrequency (RF) discharges. The implicit treatment of the coupled equations allows using large time steps. The full-Newton method (FNM) enables fast nonlinear convergence at each time step, offering significantly improved simulation efficiency. We discuss the selection of time steps for solving different plasma problems. The new solver enables solving several problems we could not solve before with existing software: two- and three-dimensional structures of the entire DC discharges including cathode and anode regions, electric field reversals and double-layer formation, the normal cathode spot and an anode ring, moving striations in diffuse and constricted DC discharges, and standing striations in RF discharges. The developed FNM-ACM technique offers many benefits for tackling the disparity of gas discharge plasma systems' time scales and nonlinearity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Achieving Higher Order Accuracy in Space in Hydrodynamic Simulations of Self-Gravitating Gas

Modern astrophysical simulation codes employ a variety of numerical algorithms capable of achieving higher-order accuracy in both space and time. Albeit they succeed in achieving an effective higher spatial resolution and in suppressing the numerical damping of waves, to our knowledge, all current astrophysical simulations invoking self-gravity are limited to second-order accuracy in space. If we can devise an algorithm to evaluate self-gravity with a higher-order spatial accuracy, we can better the evaluation of the gravitational acceleration and gravitational energy release which dictate the evolution of many astrophysical systems. Herein, we present a numerical algorithm for self-gravitating hydrodynamics capable of achieving fourth-order accuracy for a given density distribution on a Cartesian uniform grid. First, we derive the cell-averaged gravitational potential at fourth-order accuracy from the cell-averaged density by solving the Poisson equation. Next, we obtain the cell average of the product of the density and gravitational acceleration, which differs from the cell-averaged density multiplied by the cell-averaged gravitational acceleration. We then show the verification of the algorithm by applying it to critical test problems: (1) maintaining equilibria of self-gravitating slabs, even upon advection, (2) evolving a polytropic sphere with a massive power-law envelope, and (3) conservation of specific entropy during the propagation of a sound wave.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Modelling the Lyman-α forest with Eulerian and SPH hydrodynamical methods

ABSTRACT We compare two state-of-the-art numerical codes to study the overall accuracy in modelling the intergalactic medium and reproducing Lyman-α forest observables for DESI and high-resolution data sets. The codes employ different approaches to solving both gravity and modelling the gas hydrodynamics. The first code, Nyx, solves the Poisson equation using the Particle-Mesh (PM) method and the Euler equations using a finite-volume method. The second code, CRK-HACC , uses a Tree-PM method to solve for gravity, and an improved Lagrangian smoothed particle hydrodynamics (SPH) technique, where fluid elements are modelled with particles, to treat the intergalactic gas. We compare the convergence behaviour of the codes in flux statistics as well as the degree to which the codes agree in the converged limit. We find good agreement overall with differences being less than observational uncertainties, and a particularly notable ≲1 per cent agreement in the 1D flux power spectrum. This agreement was achieved by applying a tessellation methodology for reconstructing the density in CRK-HACC instead of using an SPH kernel as is standard practice. We show that use of the SPH kernel can lead to significant and unnecessary biases in flux statistics; this is especially prominent at high redshifts, z ∼ 5, as the Lyman-α forest mostly comes from lower-density regions that are intrinsically poorly sampled by SPH particles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

First-principles theory for Schottky barrier physics

We develop a first-principles theory for Schottky barrier physics. The Poisson equation is solved selfconsistently with the electrostatic charge density over the entire barrier using the density functional theory (DFT) electronic structure converged locally, allowing computation of a Schottky barrier entirely from DFT involving thousands of atomic layers in the semiconductor (SC). Here, the induced charge in the bulk consists of conduction and valence band charges from doping and band bending, as well as charge from the evanescent states in the gap of the SC. The Schottky barrier height (SBH) is determined when the induced charge density and the induced electrostatic potential reach self-consistency. Tests on the GaAs-graphene and Si/Al heterostructures yield SBH, width, along with depletion and inversion layers obtained self-consistently as functions of temperature and bulk doping.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Investigating the use of field solvers for simulating classical systems

We explore the use of field solvers as approximations of classical Vlasov-Poisson systems. This correspondence is investigated in both electrostatic and gravitational contexts. We demonstrate the ability of field solvers to be excellent approximations of problems with cold initial condition into the nonlinear regime. We also investigate extensions of the Schrödinger-Poisson system that employ multiple stacked cold streams, and the von Neumann–Poisson equation as methods that can successfully reproduce the classical evolution of warm initial conditions. We then discuss how appropriate simulation parameters need to be chosen to avoid interference terms, aliasing, and wave behavior in the field solver solutions. Finally, we present a series of criteria clarifying how parameters need to be chosen in order to effectively approximate classical solutions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Ultralight scalars as cosmological dark matter

Many aspects of the large-scale structure of the Universe can be described successfully using cosmological models in which 27 ± 1% of the critical mass-energy density consists of cold dark matter (CDM). However, few—if any—of the predictions of CDM models have been successful on scales of ~10 kpc or less. This lack of success is usually explained by the difficulty of modeling baryonic physics (star formation, supernova and black-hole feedback, etc.). An intriguing alternative to CDM is that the dark matter is an extremely light (m ~10 -22 eV) boson having a de Broglie wavelength λ ~1 kpc, often called fuzzy dark matter (FDM). Here we describe the arguments from particle physics that motivate FDM, review previous work on its astrophysical signatures, and analyze several unexplored aspects of its behavior. In particular, (i) FDM halos or subhalos smaller than about 10 7 (m/10 -22 eV) -3/2 M ⊙ do not form, and the abundance of halos smaller than a few times 10 10 (m/10 -22 eV) -4/3 M ⊙ is substantially smaller in FDM than in CDM. (ii) FDM halos are comprised of a central core that is a stationary, minimum-energy solution of the Schrödinger-Poisson equation, sometimes called a “soliton,” surrounded by an envelope that resembles a CDM halo. The soliton can produce a distinct signature in the rotation curves of FDM-dominated systems. (iii) The transition between soliton and envelope is determined by a relaxation process analogous to two-body relaxation in gravitating N-body systems, which proceeds as if the halo were composed of particles with mass ~ ρλ 3 where ρ is the halo density. (iv) Relaxation may have substantial effects on the stellar disk and bulge in the inner parts of disk galaxies, but has negligible effect on disk thickening or globular cluster disruption near the solar radius. (v) Relaxation can produce FDM disks but a FDM disk in the solar neighborhood must have a half-thickness of at least ~300 (m/10 -22 eV) -2/3 pc and a midplane density less than 0.2(m/10 -22 eV) 2/3 times the baryonic disk density. (vi) Solitonic FDM subhalos evaporate by tunneling through the tidal radius and this limits the minimum subhalo mass inside ~30 kpc of the Milky Way to a few times 10 8 (m/10 - 22 eV) -3/2 M ⊙ . (vii) If the dark matter in the Fornax dwarf galaxy is composed of CDM, most of the globular clusters observed in that galaxy should have long ago spiraled to its center, and this problem is resolved if the dark matter is FDM. (viii) FDM delays galaxy formation relative to CDM but its galaxy-formation history is consistent with current observations of high-redshift galaxies and the late reionization observed by Planck. If the dark matter is composed of FDM, most observations favor a particle mass ≳ 10 -22 eV and the most significant observational consequences occur if the mass is in the range 1 -10 × 10 - 22 eV. There is tension with observations of the Lyman-α forest, which favor m ≳10 - 20 × 10 -22 eV and we discuss whether more sophisticated models of reionization may resolve this tension.

79 ASTRONOMY AND ASTROPHYSICS↗