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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Radiative interactions in laminar duct flows

Analyses and numerical procedures are presented for infrared radiative energy transfer in gases when other modes of energy transfer occur simultaneously. Two types of geometries are considered, a parallel plate duct and a circular duct. Fully developed laminar incompressible flows of absorbing-emitting species in black surfaced ducts are considered under the conditions of uniform wall heat flux. The participating species considered are OH, CO, CO2, and H2O. Nongray as well as gray formulations are developed for both geometries. Appropriate limiting solutions of the governing equations are obtained and conduction-radiation interaction parameters are evaluated. Tien and Lowder's wide band model correlation was used in nongray formulation. Numerical procedures are presented to solve the integro-differential equations for both geometries. The range of physical variables considered are 300 to 2000 K for temperature, 0.1 to 100.0 atm for pressure, and 0.1 to 100 cm spacings between plates/radius of the tube. An extensive parametric study based on nongray formulation is presented. Results obtained for different flow conditions indicate that the radiative interactions can be quite significant in fully developed incompressible flows.

Trivedi, P. A.↗
DOE OSTI2014

Resonant diffraction gratings for spatial differentiation of optical beams

Diffraction of a two-dimensional optical beam from a resonant diffraction grating is considered. It is shown that at certain resonance parameters the diffraction grating allows for spatial differentiation and integration of the incident beam. The parameters of the diffraction grating for spatial differentiation of optical beams in the transmission geometry are calculated. It is shown that the differentiating diffraction grating allows the conversion of the two-dimensional beam into the two-dimensional Hermite – Gaussian mode. The presented results of numerical modelling are in good agreement with the proposed theoretical description. The use of the considered resonant diffraction gratings is promising for solving the problems of all-optical data processing. (laser applications and other topics in quantum electronics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Black Holes in an Effective Field Theory Extension of General Relativity

Effective field theory methods suggest that some rather general extensions of general relativity include, or are mimicked by, certain higher-order curvature corrections, with coupling constants expected to be small but otherwise arbitrary. Thus, the tantalizing prospect to test the fundamental nature of gravity with gravitational-wave observations, in a systematic way, emerges naturally. Here, we build black hole solutions in such a framework and study their main properties. Once rotation is included, we find the first purely gravitational example of geometries without Z 2 symmetry. Despite the higher-order operators of the theory, we show that linearized fluctuations of such geometries obey second-order differential equations. We find nonzero tidal Love numbers. We study and compute the quasinormal modes of such geometries. These results are of interest to gravitational-wave science but also potentially relevant for electromagnetic observations of the galactic center or x-ray binaries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1991

Differential memory in the earth's magnetotail

The process of 'differential memory' in the earth's magnetotail is studied in the framework of the modified Harris magnetotail geometry. It is verified that differential memory can generate non-Maxwellian features in the modified Harris field model. The time scales and the potentially observable distribution functions associated with the process of differential memory are investigated, and it is shown that non-Maxwelllian distributions can evolve as a test particle response to distribution function boundary conditions in a Harris field magnetotail model. The non-Maxwellian features which arise from distribution function mapping have definite time scales associated with them, which are generally shorter than the earthward convection time scale but longer than the typical Alfven crossing time.

Burkhart, G. R.↗
NASA NTRS1992

Parallel computation of geometry control in adaptive truss structures

The fast computation of geometry control in adaptive truss structures involves two distinct parts: the efficient integration of the inverse kinematic differential equations that govern the geometry control and the fast computation of the Jacobian, which appears on the right-hand-side of the inverse kinematic equations. This paper present an efficient parallel implementation of the Jacobian computation on an MIMD machine. Large speedup from the parallel implementation is obtained, which reduces the Jacobian computation to an O(M-squared/n) procedure on an n-processor machine, where M is the number of members in the adaptive truss. The parallel algorithm given here is a good candidate for on-line geometry control of adaptive structures using attached processors.

Ramesh, A. V.↗
DOE OSTI2014

Multiscale geometric modeling of macromolecules I: Cartesian representation

This paper focuses on the geometric modeling and computational algorithm development of biomolecular structures from two data sources: Protein Data Bank (PDB) and Electron Microscopy Data Bank (EMDB) in the Eulerian (or Cartesian) representation. Molecular surface (MS) contains non-smooth geometric singularities, such as cusps, tips and self-intersecting facets, which often lead to computational instabilities in molecular simulations, and violate the physical principle of surface free energy minimization. Variational multiscale surface definitions are proposed based on geometric flows and solvation analysis of biomolecular systems. Our approach leads to geometric and potential driven Laplace–Beltrami flows for biomolecular surface evolution and formation. The resulting surfaces are free of geometric singularities and minimize the total free energy of the biomolecular system. High order partial differential equation (PDE)-based nonlinear filters are employed for EMDB data processing. We show the efficacy of this approach in feature-preserving noise reduction. After the construction of protein multiresolution surfaces, we explore the analysis and characterization of surface morphology by using a variety of curvature definitions. Apart from the classical Gaussian curvature and mean curvature, maximum curvature, minimum curvature, shape index, and curvedness are also applied to macromolecular surface analysis for the first time. Our curvature analysis is uniquely coupled to the analysis of electrostatic surface potential, which is a by-product of our variational multiscale solvation models. As an expository investigation, we particularly emphasize the numerical algorithms and computational protocols for practical applications of the above multiscale geometric models. Such information may otherwise be scattered over the vast literature on this topic. Based on the curvature and electrostatic analysis from our multiresolution surfaces, we introduce a new concept, the polarized curvature, for the prediction of protein binding sites.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Comparison of multigrid algorithms for high‐order continuous finite element discretizations

Summary We present a comparison of different multigrid approaches for the solution of systems arising from high‐order continuous finite element discretizations of elliptic partial differential equations on complex geometries. We consider the pointwise Jacobi, the Chebyshev‐accelerated Jacobi, and the symmetric successive over‐relaxation smoothers, as well as elementwise block Jacobi smoothing. Three approaches for the multigrid hierarchy are compared: (1) high‐order h ‐multigrid, which uses high‐order interpolation and restriction between geometrically coarsened meshes; (2) p ‐multigrid, in which the polynomial order is reduced while the mesh remains unchanged, and the interpolation and restriction incorporate the different‐order basis functions; and (3) a first‐order approximation multigrid preconditioner constructed using the nodes of the high‐order discretization. This latter approach is often combined with algebraic multigrid for the low‐order operator and is attractive for high‐order discretizations on unstructured meshes, where geometric coarsening is difficult. Based on a simple performance model, we compare the computational cost of the different approaches. Using scalar test problems in two and three dimensions with constant and varying coefficients, we compare the performance of the different multigrid approaches for polynomial orders up to 16. Overall, both h ‐multigrid and p ‐multigrid work well; the first‐order approximation is less efficient. For constant coefficients, all smoothers work well. For variable coefficients, Chebyshev and symmetric successive over‐relaxation smoothing outperform Jacobi smoothing. While all of the tested methods converge in a mesh‐independent number of iterations, none of them behaves completely independent of the polynomial order. When multigrid is used as a preconditioner in a Krylov method, the iteration number decreases significantly compared with using multigrid as a solver. Copyright © 2015 John Wiley & Sons, Ltd.

Sundar, Hari↗
DOE OSTI2016

Symmetries of stochastic differential equations: A geometric approach

A new notion of stochastic transformation is proposed and applied to the study of both weak and strong symmetries of stochastic differential equations (SDEs). The correspondence between an algebra of weak symmetries for a given SDE and an algebra of strong symmetries for a modified SDE is proved under suitable regularity assumptions. This general approach is applied to a stochastic version of a two dimensional symmetric ordinary differential equation and to the case of two dimensional Brownian motion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Temperature distribution in a laser-heated diamond anvil cell as described by finite element analysis

Finite element analysis (FEA) is a powerful tool for numerically solving partial differential equations over complex geometries and is thus useful for analyzing heat transport in laser-heated diamond anvil cell (LHDAC) experiments. Our models expand on previously published simulations by calculating the volume-averaged temperatures of both the sample and insulation/pressure media under steady-state heating to determine the thermal pressure of the hot sample. Our goal is to produce an accurate relationship between the measured surface temperature of the absorbing sample and the temperature of the transparent insulating media, which is used to determine thermal pressure but susceptible to steep temperature gradients. We find that in doing so, our FEA models of temperature within the pressure/insulation media can differ from simplified estimates of temperature gradients by more than a factor of 2. We also explore temperature-dependent and temperature-independent thermal conductivity models and find that the volume-averaged temperatures differ by up to a factor of 1.3, forcing the predicted thermal pressures determined to also differ by up to a factor of 1.5 at a temperature of 2000 K at 50 GPa for neon. Higher temperatures exacerbate this difference. We also find that unintentional asymmetric sample insertion and sample heating, which are common in LHDAC experiments, do not have a first-order effect on volume-averaged temperatures. The FEA models, available in both Python and FlexPDE, are versatile across different sample geometries, materials, and heat source laser shapes.

Farah, Frederick↗
DOE OSTI2015

Geometric properties of commutative subalgebras of partial differential operators

We investigate further algebro-geometric properties of commutative rings of partial differential operators, continuing our research started in previous articles. In particular, we start to explore the simplest and also certain known examples of quantum algebraically completely integrable systems from the point of view of a recent generalization of Sato's theory, developed by the first author. We give a complete characterization of the spectral data for a class of 'trivial' commutative algebras and strengthen geometric properties known earlier for a class of known examples. We also define a kind of restriction map from the moduli space of coherent sheaves with fixed Hilbert polynomial on a surface to an analogous moduli space on a divisor (both the surface and the divisor are part of the spectral data). We give several explicit examples of spectral data and corresponding algebras of commuting (completed) operators, producing as a by-product interesting examples of surfaces that are not isomorphic to spectral surfaces of any (maximal) commutative ring of partial differential operators of rank one. Finally, we prove that any commutative ring of partial differential operators whose normalization is isomorphic to the ring of polynomials k[u,t] is a Darboux transformation of a ring of operators with constant coefficients. Bibliography: 39 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Programmable Phase Selection between Altermagnetic and Noncentrosymmetric Polymorphs of MnTe on InP via Molecular Beam Epitaxy

This dataset contains DFT input and output files supporting the theoretical modeling in the associated publication (ACS Appl. Mater. Interfaces 2026, 18, 15654-15664). The calculations model the interfacial energetics of two MnTe polymorphs — NiAs-MnTe (hexagonal, alpha phase) and ZnS-MnTe (cubic, gamma phase) — on InP(111) substrates with two surface terminations: In-terminated InP(111)A and P-terminated InP(111)B. This gives four interface configurations: NiAs on In-terminated (experimentally observed), NiAs on P-terminated (computed for comparison), ZnS on In-terminated (computed for comparison), and ZnS on P-terminated (experimentally observed). The dataset is organized into four calculation types, each covering all four polymorph/termination combinations: (i) Slabs: Pristine MnTe/InP heterostructure slabs used to compute total energies and interface energy densities (Eint) for all four configurations, as reported in Fig. 6 of the main text. (ii) Disorder: Same slab geometries with a P_Te + Te_P antisite defect pair introduced near the interface, used to assess chemical intermixing effects on interface stability (Fig. S8, SI). (iii) Strain: Pristine slab calculations with in-plane lattice parameters strained by -1% and +1% relative to the InP lattice constant, used to evaluate strain-dependent interface energetics (Fig. S9, SI). (iv) Charge_Density: Single-point calculations on the full heterostructure, the isolated InP slab, and the isolated MnTe slab at fixed geometry, used to compute differential charge density plots showing interfacial charge accumulation and depletion as a function of surface termination (Fig. S10, SI). Each calculation folder contains INCAR, KPOINTS, POSCAR, CONTCAR, OUTCAR, and POTCAR_info.txt (PAW potential information, excluding the full POTCAR due to VASP licensing restrictions). The calculations were performed using VASP 6.4.3 with PBE exchange-correlation, PAW potentials, a Hubbard correction of Ueff = 5 eV on Mn d-states, and A-type AFM spin initialization.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Four lectures on Euler integrals

These lecture notes provide a self-contained introduction to Euler integrals, which are frequently encountered in applications. In particle physics, they arise as Feynman integrals or string amplitudes. Our four selected topics demonstrate the diverse mathematical techniques involved in the study of Euler integrals, including polyhedral geometry, very affine varieties, differential equations, and computational algebra.

Matsubara-Heo, Saiei-Jaeyeong↗
DOE OSTI2021

Challenge Solutions for a Significant Water Cut Reduction History Match on Heavy Oil Polymer EOR

Milne Point Field is conducting the first-ever active polymer flood pilot program designed to enhance oil recovery (EOR) of heavy oils on the Alaska North Slope (ANS). The experimental field program consists of two pairs of horizontal injection and production wells deployed in an isolated fault block in the Schrader Bluff reservoir. The EOR method combines polymer flooding and low salinity water flooding to improve recovery. Prior average water cut reduction in polymer EOR fields ordinarily ranges between 10% to 15% for most light oil and heavy oil reservoirs. When comparing other field applications, the long-lasting (24 months) and much lower water cut poses a challenge for numerical history matching when applying typical simulation methods. This abstract discusses two practical new approaches used for history matching of the long-lasting ultralow water cut. These new applications include 1) multiple relative permeability curves with J-function incorporation with low endpoints of relative permeability of water (Krw). This approach integrated the permeability differential adjustment in the geometries of horizontal and vertical directions based on geological review. 2) A specific permeability channel strips along with the horizontal or vertical planar assumption. The current history matching results indicate success in achieving an excellent agreement with the field observed low water-cut.

Namie, S.↗
NASA NTRS1981

Electron scattering by highly polar molecules. III - CsCl

Utilizing a crossed electron-beam-molecular-beam scattering geometry, relative values of differential electron scattering cross sections for cesium chloride at 5 and 20 eV electron impact energies and at scattering angles between 10 and 120 deg have been measured. These relative cross sections have been normalized to the cross section at 15 deg scattering angle calculated by the hybrid S-matrix technique. In the angular range between 0 and 10 deg and between 120 and 180 deg extrapolations have been made to obtain integral and momentum transfer cross sections. An energy-loss spectrum is also presented which gives various spectral features lying between the 4 and 10 eV regions in CsCl.

Vuskovic, L.↗
NASA NTRS1982

Algebraic grid generation

The numerical solution of partial differential equations about irregular geometries and with varying characteristic scales has created the need for coordinate systems and associated transformations which reflect both geometric and physical requirements. The process of finding coordinate transformations in discrete representations is called 'grid generation'. The present investigation is concerned with three algebraic grid generation methods. The methods include transfinite interpolation, the multisurface method, and the two-boundary technique. Interpolation formulas, in terms of homotopic mappings and constraints in terms of point positions and/or derivatives are the essential elements of the techniques. The methods are relatively simple to understand, they are explicit and do not require extensive computational effort, and they have a high degree of generality.

Smith, R. E.↗