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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

A method for the measurement and the statistical analysis of atmospheric turbulence

The instantaneous values of output voltages representing the wind velocity vector and the temperature at different elevations of the 250-foot meteorological tower located at NASA Wallops Flight Center are provided with the three dimensional split-film TSI Model 1080 anemometer system. The output voltages are sampled at a rate of one every 5 milliseconds, digitized and stored on digital magnetic tapes for a time period of approximately 40 minutes, with the use of a specially designed data acqusition system. A new calibration procedure permits the conversion of the digital voltages to the respective values of the temperature and the velocity components in a Cartesian coordinate system connected with the TSI probe with considerable accuracy. Power, cross, coincidence and quadrature spectra of the wind components and the temperature are obtained with the use of the fast Fourier transform. The cosine taper data window and ensemble and frequency smoothing techniques are used to provide smooth estimates of the spectral functions.

Tieleman, H. W.↗
NASA NTRS1993

A Fourier-Riccati approach to radiative transfer. I - Foundations

The three-dimensional equation of radiative transfer is formally solved using a Fourier-Riccati approach while calculations are performed on cloudy media embedded in a two-dimensional space. An extension to Stephens' work this study addresses the coupling between space and angle asserted by the equation of transfer. In particular, the accuracy of the computed radiation field as it is influenced by the angular resolution of the phase function and spatial discretization of the cloudy medium is discussed. The necessity of using a large number of quadrature points to calculate fluxes even when the phase function is isotropic for media exhibiting vertical and horizontal inhomogeneities is demonstrated. Effects of incorrect spatial sampling on both radiance and flux fields are also quantified by example. Radiance and flux comparisons obtained by the Fourier-Riccati model and the independent pixel approximation for inhomogeneous cloudy media illustrate the inadequacy of the latter even for tenuous clouds.

Gabriel, P. M.↗
DOE OSTI2021

Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: A Comparison Between Energy - and Variance-based Approaches

An efficient implementation of geometrical derivatives at the Hartree–Fock (HF) and current-density functional theory (CDFT) levels is presented for the study of molecular structure in strong magnetic fields. The required integral derivatives are constructed using a hybrid McMurchie–Davidson and Rys quadrature approach, which combines the amenability of the former to the evaluation of derivative integrals with the efficiency of the latter for basis sets with high angular momentum. In addition to its application to evaluating derivatives of four-center integrals, this approach is also applied to gradients using the resolution-of-the-identity approximation, enabling efficient optimization of molecular structure for many-electron systems under a strong magnetic field. The CDFT contributions have been implemented for a wide range of density functionals up to and including the meta-GGA level with current-density dependent contributions and (range-separated) hybrids for the first time. Illustrative applications are presented to the OH and benzene molecules, revealing the rich and complex chemistry induced by the presence of an external magnetic field. Challenges for geometry optimization in strong fields are highlighted, along with the requirement for careful analysis of the resulting electronic structure at each stationary point. The importance of correlation effects is examined by comparison of results at the HF and CDFT levels. The present implementation of molecular gradients at the CDFT level provides a cost-effective approach to the study of molecular structure under strong magnetic fields, opening up many new possibilities for the study of chemistry in this regime.

Comparison↗
NASA NTRS1990

Long-distance sound propagation over discontinuous impedances

A calculation method is presented for sound propagation over an impedance discontinuity in flat ground with a homogeneous, still atmosphere. The method is based on an approximate solution to a two dimensional boundary integral equation formulation of the problem, which expresses the wave field as the solution for homogeneous ground plus an integral over half of the boundary. Through recognizing this integral as a generalized Fourier integral, asymptotic methods are applied to evaluate the part of the integral most expensive to compute by numerical quadrature. Single frequency excess attenuation results for propagation from a point source above rigid ground to a receiver above absorbing ground are discussed. The results are applied, with air attenuation and A-weighting, to a notional jet engine noise source. Simple trends are noted.

Chandler-Wilde, Simon N.↗
NASA NTRS1989

Some spectral approximation of one-dimensional fourth-order problems

Some spectral type collocation method well suited for the approximation of fourth-order systems are proposed. The model problem is the biharmonic equation, in one and two dimensions when the boundary conditions are periodic in one direction. It is proved that the standard Gauss-Lobatto nodes are not the best choice for the collocation points. Then, a new set of nodes related to some generalized Gauss type quadrature formulas is proposed. Also provided is a complete analysis of these formulas including some new issues about the asymptotic behavior of the weights and we apply these results to the analysis of the collocation method.

Bernardi, Christine↗
DOE OSTI2023

Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamics

Accurately modeling dense plasmas over wide-ranging conditions of pressure and temperature is a grand challenge critically important to our understanding of stellar and planetary physics as well as inertial confinement fusion. In this work, we employ Kohn-Sham density functional theory (DFT) molecular dynamics (MD) to compute the properties of carbon at warm and hot dense matter conditions in the vicinity of the principal Hugoniot. In particular, we calculate the equation of state (EOS), Hugoniot, pair distribution functions, and diffusion coefficients for carbon at densities spanning 8 g/$\mathrm{cm^3}$ to 16 g/$\mathrm{cm^3}$ and temperatures ranging from 100 kK to 10 MK using the Spectral Quadrature method. Here, we find that the computed EOS and Hugoniot are in good agreement with path integral Monte Carlo results and the sesame database. Additionally, we calculate the ion-ion structure factor and viscosity for selected points. All results presented are at the level of full Kohn-Sham DFT-MD, free of empirical parameters, average-atom, and orbital-free approximations employed previously at such conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

An efficient explicit implementation of a near-optimal quantum algorithm for simulating linear dissipative differential equations

We propose an efficient block-encoding technique for the implementation of the Linear Combination of Hamiltonian Simulations (LCHS) for simulating dissipative initial-value problems. This algorithm approximates a target nonunitary operator as a weighted sum of Hamiltonian evolutions, thereby emulating a dissipative problem by mixing various time scales. We introduce an efficient encoding of the LCHS into a quantum circuit based on a simple coordinate transformation that turns the dependence on the summation index into a trigonometric function. Classically, this method is equivalent to the use of a highly accurate Fejér-Clenshaw-Curtis quadrature formula. Quantumly, this significantly simplifies block-encoding of a dissipative problem and allows one to perform an exponential number of Hamiltonian simulations by a single Quantum Signal Processing (QSP) circuit. The resulting LCHS circuit has high success probability and the selector scales logarithmically with the number of terms in the LCHS sum and linearly with time. Careful analysis of error convergence proves that this method is more efficient than other LCHS circuits that have recently appeared in the literature. We verify the quantum circuit and its scaling by simulating it on a digital emulator of fault-tolerant quantum computers and, as a test problem, solve the advection-diffusion equation. The proposed algorithm can be used for simulating a wide class of nonunitary initial-value problems including the Liouville equation with added dissipation and linear embeddings of nonlinear systems, such as the Koopman-von Neumann and Carleman embeddings.

Novikau, I [Lawrence Livermore National Laboratory↗
NASA NTRS1986

Spherical harmonic expansions of the Earth's gravitational potential to degree 360 using 30' mean anomalies

Two potential coefficient fields that are complete to degree and order 360 have been computed. One field (OSU86E) excludes geophysically predicted anomalies while the other (OSU86F) includes such anomalies. These fields were computed using a set of 30' mean gravity anomalies derived from satellite altimetry in the ocean areas and from land measurements in North America, Europe, Australia, Japan and a few other areas. Where no 30' data existed, 1 deg x 1 deg mean anomaly estimates were used if available. No rigorous combination of satellite and terrestrial data was carried out. Instead advantage was taken of the adjusted anomalies and potential coefficients from a rigorous combination of the GEML2' potential coefficient set and 1 deg x 1 deg mean gravity anomalies. The two new fields were computed using a quadrature procedure with de-smoothing factors. The spectra of the new fields agree well with the spectra of the fields with 1 deg x 1 deg data out to degree 180. Above degree 180 the new fields have more power. The fields have been tested through comparison of Doppler station geoid undulations with undulations from various geopotential models. The agreement between the two types of undulations is approximately + or - 1.6 m. The use of a 360 field over a 180 field does not significantly improve the comparison. Instead it allows the comparison to be done at some stations where high frequency effects are important. In addition maps made in areas of high frequency information (such as trench areas) clearly reveal the signal in the new fields from degree 181 to 360.

Rapp, Richard H.↗
NASA NTRS1998

Optical Channelizer Evaluation Using Empirical Data and Simulation

Westinghouse Electric Corporation Division under NASA contract NAS3-25865 developed a proof-of-concept (POC) multichannel demultiplexer implemented as an acousto-optic radiofrequency (RF) with a spectrum analyzer. A detailed analysis of the experimental results indicate that the expected degradation caused by the acousto-optical channelizer is approximately 2.0 dB degradation at 10(exp -5) bit-error rate (BER) and 3.0 dB degradation at 10(exp -8) BER. This degradation may be quite acceptable when considering the excellent volume, mass, and power characteristics of acousto-optical channelizing relative to other technologies. In addition, system performance can be greatly improved by using digital pulse shaping in the modem and increasing the channel spacing from 40 to 45 kHz for 64 kbps quadrature phase-shift keying (QPSK) modulation.

Ivancic,William D.↗
NASA NTRS1981

Spherical-earth gravity and magnetic anomaly modeling by Gauss-Legendre quadrature integration

Gauss-Legendre quadrature integration is used to calculate the anomalous potential of gravity and magnetic fields and their spatial derivatives on a spherical earth. The procedure involves representation of the anomalous source as a distribution of equivalent point gravity poles or point magnetic dipoles. The distribution of equivalent point sources is determined directly from the volume limits of the anomalous body. The variable limits of integration for an arbitrarily shaped body are obtained from interpolations performed on a set of body points which approximate the body's surface envelope. The versatility of the method is shown by its ability to treat physical property variations within the source volume as well as variable magnetic fields over the source and observation surface. Examples are provided which illustrate the capabilities of the technique, including a preliminary modeling of potential field signatures for the Mississippi embayment crustal structure at 450 km.

Von Frese, R. R. B.↗
NASA NTRS2000

Higher Order Modeling In the BEM/FEM Hybrid Formulation

Hybrid formulations using low order curl-conforming bases to represent the total electric field within a finite element region and low order divergence-conforming bases to represent equivalent electric and magnetic currents on the boundary are well known. However, higher-order divergence and curl-conforming bases have been shown to provide significant benefits in convergence rates and accuracy when employed in strictly integral equation and strictly finite element formulations. In this paper, a hybrid electric field formulation employing higher order bases is presented. The paper addresses benefits and issues associated with using higher order divergence-and curl-conforming bases in the hybrid finite element/boundary element electric field formulation. The method of singularity subtraction may be used to compute the self terms of the boundary integral when the bases are of low order. But this method becomes laborious and requires great care when the divergence conforming bases are of higher order. In order to handle these singularities simply and accurately, a generalized Gaussian quadrature method is employed in which the expansion functions account for the singularity. In preliminary tests of the higher order hybrid formulation, the equivalent electric current induced by scattering of a plane wave from a square dielectric cylinder is examined. Accurate results are obtained using only a two-triangle mesh when the current basis is of order 4 or 5. Additional results are presented comparing the error obtained using higher order bases to that obtained using lower order bases when the number of unknowns is approximately equal. Also, convergence rates obtained with higher order bases are compared to those obtained with lower order bases for selected sample problems.

Fink, Patrick W.↗
NASA NTRS1976

The effect of adhesive layer on crack propagation in laminates

The effect of the adhesive layer on crack propagation in composite materials is investigated. The composite medium consists of parallel load carrying laminates and buffer strips arranged periodically and bonded with thin adhesive layers. The strips, assumed to be isotropic and linearly elastic, contain symmetric cracks of arbitrary lengths located normal to the interfaces. Two problems are considered: (1) thin adhesive layers are approximated by uncoupled tension and shear springs distributed along the interfaces of the strips for which only the case of internal cracks can be treated rigorously; (2) broken laminates and the true singular behavior in the presence of the adhesive layer are studied. The adhesive is then treated as an isotropic, linearly elastic continuum. General expressions for field quantities are obtained in terms of infinite Fourier integrals. These expressions give a system of singular integral equations in terms of the crack surface displacement derivatives. By using appropriate quadrature formulas, the integral equations reduce to a system of linear algebraic equations which are solved numerically.

Gecit, M. R.↗
DOE OSTI2025

Random Phase Approximation Correlation Energy Using Real-Space Density Functional Perturbation Theory

We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn–Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In particular, we employ a cubic-scaling formalism based on density functional perturbation theory that circumvents the calculation of the response function matrix, instead relying on the ability to compute its product with a vector through the solution of the associated Sternheimer linear systems. We develop a large-scale parallel implementation of this formalism using the subspace iteration method in conjunction with the spectral quadrature method while employing the Kronecker product-based method for the application of the Coulomb operator and the conjugate orthogonal conjugate gradient method for the solution of the linear systems. We demonstrate convergence with respect to key parameters and verify the method’s accuracy by comparing with plane-wave results. We show that the framework achieves good strong scaling to many thousands of processors, reducing the time to solution for a lithium hydride system with 128 electrons to around 150 s on 4608 processors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Planetary circulations in the presence of transient and self-induced heating

The linearized global primitive equation model of Salby and Garcia (1987) was modified to study tropospheric circulations and their interaction with tropical convection. The vertical resolution was increased to approximately 1.5 km, with the effective vertical domain extending the approximately 40 km (higher altitudes in the calculation are used to ensure the radiation upper boundary condition is satisfied). A formal wave conditional instability of the second kind (CISK) parameterization was introduced. That parameterization allows low-frequency disturbances to interact with convection by organizing surface moisture. Boundary layer friction has two important effects in these calculations: it exaggerates surface convergence near the equator by driving the flow out of geostrophic balance; and it introduces a phase shift between the convergence pattern and the circulation, which drives the heating out of quadrature with the temperature field and allows a positive feedback to take place. The observational complement of this theoretical work involves Global Cloud Imagery (GCI) composited from six satellites in the International Satellite Cloud Climatology Project (ISCCP) which were simultaneously observing the Earth's cloud field. Having global coverage, horizontal resolution of half a degree, and produced synoptically every 3 hours, the GCI affords an unprecendented view of global convection. A full year (1983 to 1984) of GCI has now been successfully created. Among other phenomena, that imagery reveals a regular progression of easterly waves in the convective pattern of the Western Pacific. Those disturbances have odd symmetry about the equator and organize convection into a pattern with similar symmetry. In time-mean maps of cloud cover, these propagating disturbances produce a split Inter-Tropical Convergence Zone (ITCZ) in the western Pacific.

Salby, Murry L.↗
NASA NTRS1950

Laminar mixing of a compressible fluid

A theoretical investigation of the velocity profiles for laminar mixing of a high-velocity stream with a region of fluid at rest has been made assuming that the Prandtl number is unity. A method which involves only quadratures is presented for calculating the velocity profile in the mixing layer for an arbitrary value of the free-stream Mach number. Detailed velocity profiles have been calculated for free-stream Mach numbers of 0, 1, 2, 3, and 5. For each Mach number, velocity profiles are presented for both a linear and a 0.76-power variation of viscosity with absolute temperature. The calculations for a linear variation are much simpler than those for a 0.76-power variation. It is shown that by selecting the constant of proportionality in the liner approximation such that it gives the correct value for the viscosity in the high-temperature part of the mixing layer, the resulting velocity profiles are in excellent agreement with those calculated by a 0.76-power variation.

Chapman, Dean R↗
NASA NTRS1993

A multigrid solver for the semiconductor equations

We present a multigrid solver for the exponential fitting method. The solver is applied to the current continuity equations of semiconductor device simulation in two dimensions. The exponential fitting method is based on a mixed finite element discretization using the lowest-order Raviart-Thomas triangular element. This discretization method yields a good approximation of front layers and guarantees current conservation. The corresponding stiffness matrix is an M-matrix. 'Standard' multigrid solvers, however, cannot be applied to the resulting system, as this is dominated by an unsymmetric part, which is due to the presence of strong convection in part of the domain. To overcome this difficulty, we explore the connection between Raviart-Thomas mixed methods and the nonconforming Crouzeix-Raviart finite element discretization. In this way we can construct nonstandard prolongation and restriction operators using easily computable weighted L(exp 2)-projections based on suitable quadrature rules and the upwind effects of the discretization. The resulting multigrid algorithm shows very good results, even for real-world problems and for locally refined grids.

Bachmann, Bernhard↗
NASA NTRS2009

Compact, Miniature MMIC Receiver Modules for an MMIC Array Spectrograph

A single-pixel prototype of a W-band detector module with a digital back-end was developed to serve as a building block for large focal-plane arrays of monolithic millimeter-wave integrated circuit (MMIC) detectors. The module uses low-noise amplifiers, diode-based mixers, and a WR10 waveguide input with a coaxial local oscillator. State-of-the-art InP HEMT (high electron mobility transistor) MMIC amplifiers at the front end provide approximately 40 dB of gain. The measured noise temperature of the module, at an ambient temperature of 300 K, was found to be as low as 450 K at 95 GHz. The modules will be used to develop multiple instruments for astrophysics radio telescopes, both on the ground and in space. The prototype is being used by Stanford University to characterize noise performance at cryogenic temperatures. The goal is to achieve a 30-50 K noise temperature around 90 GHz when cooled to a 20 K ambient temperature. Further developments include characterization of the IF in-phase (I) and quadrature (Q) signals as a function of frequency to check amplitude and phase; replacing the InP low-noise amplifiers with state-of-the-art 35-nm-gate-length NGC low-noise amplifiers; interfacing the front-end module with a digital back-end spectrometer; and developing a scheme for local oscillator and IF distribution in a future array. While this MMIC is being developed for use in radio astronomy, it has the potential for use in other industries. Applications include automotive radar (both transmitters and receivers), communication links, radar systems for collision avoidance, production monitors, ground-penetrating sensors, and wireless personal networks.

Kangaslahti, Pekka P.↗
DOE OSTI2022

Real-space density kernel method for Kohn–Sham density functional theory calculations at high temperature

Kohn–Sham density functional theory calculations using conventional diagonalization based methods become increasingly expensive as temperature increases due to the need to compute increasing numbers of partially occupied states. In this work, we present a density matrix based method for Kohn–Sham calculations at high temperatures that eliminates the need for diagonalization entirely, thus reducing the cost of such calculations significantly. Specifically, we develop real-space expressions for the electron density, electronic free energy, Hellmann–Feynman forces, and Hellmann–Feynman stress tensor in terms of an orthonormal auxiliary orbital basis and its density kernel transform, the density kernel being the matrix representation of the density operator in the auxiliary basis. Using Chebyshev filtering to generate the auxiliary basis, we next develop an approach akin to Clenshaw–Curtis spectral quadrature to calculate the individual columns of the density kernel based on the Fermi operator expansion in Chebyshev polynomials and employ a similar approach to evaluate band structure and entropic energy components. We implement the proposed formulation in the SPARC electronic structure code, using which we show systematic convergence of the aforementioned quantities to exact diagonalization results, and obtain significant speedups relative to conventional diagonalization based methods. Finally, we employ the new method to compute the self-diffusion coefficient and viscosity of aluminum at 116 045 K from Kohn–Sham quantum molecular dynamics, where we find agreement with previous more approximate orbital-free density functional methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗