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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

The Prediction and Analysis of Jet Flows and Scattered Turbulent Mixing Noise about Flight Vehicle Airframes

Jet flows interacting with nearby surfaces exhibit a complex behavior in which acoustic and aerodynamic characteristics are altered. The physical understanding and prediction of these characteristics are essential to designing future low noise aircraft. A new approach is created for predicting scattered jet mixing noise that utilizes an acoustic analogy and steady Reynolds-averaged Navier-Stokes solutions. A tailored Green's function accounts for the propagation of mixing noise about the airframe and is calculated numerically using a newly developed ray tracing method. The steady aerodynamic statistics, associated unsteady sound source, and acoustic intensity are examined as jet conditions are varied about a large flat plate. A non-dimensional number is proposed to estimate the effect of the aerodynamic noise source relative to jet operating condition and airframe position.The steady Reynolds-averaged Navier-Stokes solutions, acoustic analogy, tailored Green's function, non-dimensional number, and predicted noise are validated with a wide variety of measurements. The combination of the developed theory, ray tracing method, and careful implementation in a stand-alone computer program result in an approach that is more first principles oriented than alternatives, computationally efficient, and captures the relevant physics of fluid-structure interaction.

Miller, Steven A. E.↗
DOE OSTI2023

Pre-equilibrium evolution of conserved charges with initial conditions in the ICCING Monte Carlo event generator

Heavy-ion collisions can be well described through relativistic viscous hydrodynamics, but questions still remain when hydrodynamics is applicable because the initial state may begin very far from equilibrium. Thus, a pre-equilibrium evolution phase is used to bridge the gap between the initial state and hydrodynamics. KøMPøST is one such pre-equilibrium model that propagates the energy-momentum tensor by decomposing it into the background and fluctuations around that background, whose evolution is captured by Green's functions. We extend this formalism to include conserved charges and calculate the corresponding nonequilibrium Green's functions in the relaxation-time approximation. The ICCING algorithm initializes conserved charges in the initial state by sampling $g$ → $q$$\overline{q}$ splitting probabilities and is, thus, perfectly positioned to implement Green's functions for charge propagation. As a result, we show that this method alters the initial-state charge geometries and is applicable in central to mid-central collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1996

A Numerical Simulation of Scattering from One-Dimensional Inhomogeneous Dielectric Random Surfaces

In this paper, an efficient numerical solution for the scattering problem of inhomogeneous dielectric rough surfaces is presented. The inhomogeneous dielectric random surface represents a bare soil surface and is considered to be comprised of a large number of randomly positioned dielectric humps of different sizes, shapes, and dielectric constants above an impedance surface. Clods with nonuniform moisture content and rocks are modeled by inhomogeneous dielectric humps and the underlying smooth wet soil surface is modeled by an impedance surface. In this technique, an efficient numerical solution for the constituent dielectric humps over an impedance surface is obtained using Green's function derived by the exact image theory in conjunction with the method of moments. The scattered field from a sample of the rough surface is obtained by summing the scattered fields from all the individual humps of the surface coherently ignoring the effect of multiple scattering between the humps. The statistical behavior of the scattering coefficient sigma(sup 0) is obtained from the calculation of scattered fields of many different realizations of the surface. Numerical results are presented for several different roughnesses and dielectric constants of the random surfaces. The numerical technique is verified by comparing the numerical solution with the solution based on the small perturbation method and the physical optics model for homogeneous rough surfaces. This technique can be used to study the behavior of scattering coefficient and phase difference statistics of rough soil surfaces for which no analytical solution exists.

Sarabandi, Kamal↗
DOE OSTI2020

An Overview of Gemma FY20 Verification Activities

Gemma verification activities for FY20 can be divided into three categories: the development of specialized quadrature rules, initial progress towards the development of manufactured solutions for code verification, and automated code-verification testing. In the method-of-moments implementation of the electric-field integral equation, the presence of a Green’s function in the four-dimensional integrals yields singularities in the integrand when two elements are nearby. To address these challenges, we have developed quadrature rules to integrate the functions through which the singularities can be characterized. Code verification is necessary to develop confidence in the implementation of the numerical methods in Gemma. Therefore, we have begun investigating the use of manufactured solutions to more thoroughly verify Gemma. Manufactured solutions provide greater flexibility for testing aspects of the code; however, the aforementioned singularities provide challenges, and existing work is limited in rigor and quantity. Finally, we have implemented automated code-verification testing using the VVTest framework to automate the mesh refinement and execution of a Gemma simulation to generate mesh convergence data. This infrastructure computes the observed order of accuracy from these data and compares it with the theoretical order of accuracy to either develop confidence in the implementation of the numerical methods or detect coding errors.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2014

The Prediction and Analysis of Jet Flows and Scattered Turbulent Mixing Noise About Flight Vehicle Airframes

Jet flows interacting with nearby surfaces exhibit a complex behavior in which acoustic and aerodynamic characteristics are altered. The physical understanding and prediction of these characteristics are essential to designing future low noise aircraft. A new approach is created for predicting scattered jet mixing noise that utilizes an acoustic analogy and steady Reynolds-averaged Navier-Stokes solutions. A tailored Green's function accounts for the propagation of mixing noise about the air-frame and is calculated numerically using a newly developed ray tracing method. The steady aerodynamic statistics, associated unsteady sound source, and acoustic intensity are examined as jet conditions are varied about a large at plate. A non-dimensional number is proposed to estimate the effect of the aerodynamic noise source relative to jet operating condition and airframe position. The steady Reynolds-averaged Navier-Stokes solutions, acoustic analogy, tailored Green's function, non- dimensional number, and predicted noise are validated with a wide variety of measurements. The combination of the developed theory, ray tracing method, and careful implementation in a stand-alone computer program result in an approach that is more first principles oriented than alternatives, computationally efficient, and captures the relevant physics of fluid-structure interaction.

Miller, Steven A.↗
DOE OSTI2022

Ab initio self-consistent many-body theory of polarons at all couplings

We present a theoretical framework to describe polarons from first principles within a many-body Green’s function formalism. Starting from a general electron-phonon Hamiltonian, we derive a self-consistent Dyson equation in which the phonon-mediated self-energy is composed by two distinct terms. One term is the Fan-Migdal self-energy and describes dynamic electron-phonon processes, the other term is a contribution to the self-energy originating from the static displacements of the atomic nuclei in the polaronic ground state. The lowest-order approximation to the present theory yields the standard many-body perturbation theory approach to electron-phonon interactions in the limit of large polarons, and the ab initio polaron equations introduced in the limit of small polarons. Here, a practical recipe to implement the present unifying formalism in first-principles calculations is outlined. We apply our method to the Fröhlich model, and obtain remarkably accurate polaron energies at all couplings, in line with Feynman’s polaron theory and diagrammatic Monte Carlo calculations. We also recover the well-known results of Fröhlich and Pekar at weak and strong coupling, respectively. The present approach enables predictive many-body calculations of polarons in real materials at all couplings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Dual-function lignin monomers enable high-performance graphene electrodes via interface confinement and proton transfer enhancement

Graphene oxide (GO)-based energy storage faces dual bottlenecks: unsustainable reduction methods and sluggish proton transfer kinetics. Here, we introduce a groundbreaking green strategy using lignin-derived vanillyl alcohol (VA) as a dual-function monomer to simultaneously address these challenges. By thermally annealing GO/VA films at mild temperatures (<100 °C), VA triggers an interface-confined reduction of GO while self-polymerizing into redox-active oligomers (P-VA) that intercalate between graphene layers. This dual role-reducing agent and proton highway enables a 3D conductive network with minimized graphene restacking, abundant redox sites, and rapid H + transport pathways. Density Functional Theory (DFT) reveals how P-VA optimizes proton dynamics, while the resulting rGO-P-VA4-T90 electrode achieves a record volumetric capacitance of 311.1F/cm 3 (777.8F/cm 2 ) and retains 87.8 % capacity after 10,000 cycles. Flexible solid-state supercapacitors deliver 94.2 μWh/cm 2 energy density at 63.8 μW/cm 2 , rivaling state-of-the-art devices. Furthermore, this work redefines sustainable graphene engineering, merging biomass valorization with high-performance energy storage in a scalable, eco-friendly paradigm.

Graphene oxide reduction↗
DOE OSTI2024

A computational approach to complex junctions and interfaces

Molecular- and nano- junctions, surfaces, interfaces, and interfacial processes have been the subjects of this DOE supported program for about 20 years. We have investigated electronic and magnetic structure, spin-dependent charge transport, and emerging phenomena at surfaces and interfaces in a number of physical systems ranging from nano-clusters, to nanowires, to two-dimensional (2D) crystals and their interactions, to bulk matter. Eighty-four refereed papers were published [1-84], with a majority effort from the group led by the PI, and over a hundred presentations were made at international conferences. We use first-principles methods in the framework of density functional theory in conjunction with nano-equilibrium Green function techniques, semi-empirical Boltzmann transport theory, tight-binding models, and the Hubbard model and many-body wavefunction approaches. In pursuing our scientific goals, we have also developed a number of computational algorithms and computational packages.

2D materials↗
NASA NTRS2000

3D Higher Order Modeling in the BEM/FEM Hybrid Formulation

Higher order divergence- and curl-conforming bases have been shown to provide significant benefits, in both convergence rate and accuracy, in the 2D hybrid finite element/boundary element formulation (P. Fink and D. Wilton, National Radio Science Meeting, Boulder, CO, Jan. 2000). A critical issue in achieving the potential for accuracy of the approach is the accurate evaluation of all matrix elements. These involve products of high order polynomials and, in some instances, singular Green's functions. In the 2D formulation, the use of a generalized Gaussian quadrature method was found to greatly facilitate the computation and to improve the accuracy of the boundary integral equation self-terms. In this paper, a 3D, hybrid electric field formulation employing higher order bases and higher order elements is presented. The improvements in convergence rate and accuracy, compared to those resulting from lower order modeling, are established. Techniques developed to facilitate the computation of the boundary integral self-terms are also shown to improve the accuracy of these terms. Finally, simple preconditioning techniques are used in conjunction with iterative solution procedures to solve the resulting linear system efficiently. In order to handle the boundary integral singularities in the 3D formulation, the parent element- either a triangle or rectangle-is subdivided into a set of sub-triangles with a common vertex at the singularity. The contribution to the integral from each of the sub-triangles is computed using the Duffy transformation to remove the singularity. This method is shown to greatly facilitate t'pe self-term computation when the bases are of higher order. In addition, the sub-triangles can be further divided to achieve near arbitrary accuracy in the self-term computation. An efficient method for subdividing the parent element is presented. The accuracy obtained using higher order bases is compared to that obtained using lower order bases when the number of unknowns is approximately equal. Also, convergence rates obtained using higher order bases are compared to those obtained with lower order bases for selected sample

Fink, P. W.↗
NASA NTRS1991

Analysis of a slot loaded microstrip disk antenna for circular polarisation

A method is presented to analyze a circular microstrip disk antenna loaded with a narrow, inclined slot at its center and fed by a coaxial probe. Making use of the exact dyadic Green's functions for a grounded dielectric slab due to electric and magnetic currents, Richmond's reaction integral equation in conjunction with the method of moments (Galerkin), a generalized h-parameter equivalent network for the loaded patch is obtained. An expression for the input impedance of a slot loaded microstrip patch is obtained from the equivalent parameters. The theoretical results are compared with the experiment.

Rao, Y. R.↗
NASA NTRS1985

Experimental methods for quenching structures in lunar-analog silicate melts: Variations as a function of quench media and composition

Compositions analogous to lunar green, organge, and brown glasses were synthesized under consistent conditions, then quenched into a variety of different media when the samples were removed from the furnace. Iron valence and coordination are a direct function of quench media used, spanning the range from brine/ice (most effective quench), water, butyl phthalate, silicone oil, liquid nitrogen, highly reducing CO-CO2 gas, to air (least efficient quench). In the green and brown glasses, Fe(3+) in four-fold and six-fold coordination is observed in the slowest-quenched samples; Fe(2+) coordination varies directly with quench efficiency. Less pronounced changes were observed in the Ti-rich orange glass. Therefore the remote-sensed spectrum of a glass-bearing regolith on the Moon may be influenced by the process by which the glass cooled, and extreme caution must be used when comparing spectra of synthetic glass analogs with real lunar glasses.

Dyar, M. D.↗
NASA NTRS1984

Experimental methods for quenching structures in lunar-analog silicate melts - Variations as a function of quench media and composition

Compositions analogous to lunar green, orange, and brown glasses were synthesized under consistent conditions, then quenched into a variety of different media when the samples were removed from the furnace. Iron valence and coordination are a direct function of quench media used, spanning the range from brine/ice (most effective quench), water, butyl phthalate, silicone oil, liquid nitrogen, highly reducing CO-CO2 gas, to air (least efficient quench). In the green and brown glasses, Fe(3+) in four-fold and six-fold coordination is observed in the slowest-quenched samples; Fe(2+) coordination varies directly with quench efficiency. Less pronounced changes were observed in the Ti-rich orange glass. Therefore the remote-sensed spectrum of a glass-bearing regolith on the moon may be influenced by the process by which the glass cooled, and extreme caution must be used when comparing spectra of synthetic glass analogs with real lunar glasses.

Dyar, M. D.↗
NASA NTRS1993

Nonperturbative methods in HZE ion transport

A nonperturbative analytic solution of the high charge and energy (HZE) Green's function is used to implement a computer code for laboratory ion beam transport. The code is established to operate on the Langley Research Center nuclear fragmentation model used in engineering applications. Computational procedures are established to generate linear energy transfer (LET) distributions for a specified ion beam and target for comparison with experimental measurements. The code is highly efficient and compares well with the perturbation approximations.

Wilson, John W.↗
DOE OSTI2022

Spin relaxation rate for heavy quarks in weakly coupled QCD plasma

We compute the relaxation rate of the spin density of heavy quarks in a perturbative QCD plasma to leading-log order in the coupling constant g. The spin relaxation rate Γ s in spin hydrodynamics is shown to be Γ s ~ g 4 log(1/g)T(T/M) 2 in the heavy-quark limit T/M $\ll$ 1, which is smaller than the relaxation rate of other non- hydrodynamic modes by additional powers of T/M. We demonstrate three different methods to evaluate the spin relaxation rate: 1) the Green-Kubo formula in the spin hydrodynamic regime, 2) the spin density correlation function in the strict hydrodynamic limit, and 3) quantum kinetic theory of the spin distribution function in momentum space. We highlight the interesting differences between these methods, while they are ultimately connected to each other by the underlying Ward-Takahashi identity for the non-conserved spin density.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Efficient separation and coprecipitation for simplified cathode recycling

Hydrometallurgical recycling of spent lithium-ion batteries is among the most promising recovery approaches. The current hydrometallurgical method for battery recycling faces challenges such as complex separation and precipitation processes, and environmental concerns from the use of caustic inorganic acid and hazardous hydrogen peroxide. Our proposed modified method, namely polyol-metallurgy, uses citric acid in ethylene glycol as dual-function green solution to overcome these obstacles. This bifunctional solution leaches valuable metal ions from cathode materials (e.g., LiCoO 2 ), and then acts as chelating agents to selectively precipitate cobalt through an esterification reaction, without the need for additional precipitation agents. The leaching efficiency of cobalt and lithium reaches 99.55% and 97.65%, respectively, and more than 96% of cobalt could be directly self-precipitated and recovered. Further, the unique characteristics of the dual-function solution also avoids impurities from Al foils and PVDF/carbon black films, enabling the simple separation process. Therefore, the process can be completed in one-pot system with efficient leaching, separation and coprecipitation, making it more efficient and feasible for operation than existing alternatives.

25 ENERGY STORAGE↗
DOE OSTI2023

A high order Cartesian grid, finite volume method for elliptic interface problems

We present a higher-order finite volume method for solving elliptic PDEs with jump conditions on interfaces embedded in a 2D Cartesian grid. Second, fourth, and sixth order accuracy is demonstrated on a variety of tests including problems with high-contrast and spatially varying coefficients, large discontinuities in the source term, and complex interface geometries. We include a generalized truncation error analysis based on cell-centered Taylor series expansions, which then define stencils in terms of local discrete solution data and geometric information. In the process, we develop a simple method based on Green's theorem for computing exact geometric moments directly from an implicit function definition of the embedded interface. This approach produces stencils with a simple bilinear representation, where spatially-varying coefficients and jump conditions can be easily included and finite volume conservation can be enforced.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

An asymptotic-preserving semi-Lagrangian algorithm for the anisotropic heat transport equation with arbitrary magnetic fields

Here, we extend the recently proposed semi-Lagrangian algorithm for the extremely anisotropic heat transport equation [Chacón et al., J. Comput. Phys ., 272 (2014)] to deal with arbitrary magnetic field topologies. The original scheme (which showed remarkable numerical properties) was valid for the so-called tokamak-ordering regime, in which the magnetic field magnitude was not allowed to vary much along field lines. The proposed extension maintains the attractive features of the original scheme (including the analytical Green's function, which is critical for tractability) with minor modifications, while allowing for completely general magnetic fields. The accuracy and generality of the approach are demonstrated by numerical experiment with an analytical manufactured solution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1974

Finite-amplitude thermal convection in a spherical shell

The properties of finite-amplitude thermal convection for a Boussinesq fluid contained in a spherical shell are investigated. All nonlinear terms are retained in the equations, and both axisymmetric and nonaxisymmetric solutions are studied. The velocity is expanded in terms of poloidal and toroidal vectors. Spherical surface harmonics resolve the horizontal structure of the flow, but finite differences are used in the vertical. With a few modifications, the transform method developed by Orszag (1970) is used to calculate the nonlinear terms, while Green's function techniques are applied to the poloidal equation and diffusion terms.

Young, R. E.↗