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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
NASA NTRS1978

Automated meteorological data from commercial aircraft via satellite - Present experience and future implications

The National Aeronautics and Space Administration has developed a low-cost communications system to provide meteorological data from commercial aircraft, in near real-time, on a fully automated basis. The complete system including the low profile antenna and all installation hardware weighs 34 kg. The prototype system has been installed on a Pan American B-747 aircraft and has been providing meteorological data (wind angle and velocity, temperature, altitude and position as a function of time) on a fully automated basis for the past several months. The results have been exceptional. This concept is expected to have important implications for operational meteorology and airline route forecasting.

Steinberg, R.↗
NASA NTRS1986

Theoretical study of the 7Sigma(u)+ state of N2

Theoretical potentials for the 7Sigma(u)+ state are reported using both extended Slater and Gaussian basis sets. Electron correlation is included using the interacting correlated fragments (ICF), the singles plus doubles configuration-interaction (SDCI), and the coupled-pair functional (CPF) approaches. The best potential, corrected for basis set superposition errors, has a well depth of about 21/cm and an r(e) of 7.52 bohr. The inclusion of the nitrogen 2s correlation significantly increases the well depth. These results are in reasonably good agreement with the empirical potential of Ferrante and Stwalley (1983), and support the contention that spin-polarized atomic nitrogen should behave like a classical solid such as Ne. It is shown that the modified Buckingham potential used by Ferrante and Stwalley is consistent with the present ab initio potentials if smaller values are used for the dispersion coefficients of the nitrogen atom.

Partridge, H.↗
NASA NTRS1989

An investigation of using an RQP based method to calculate parameter sensitivity derivatives

Estimation of the sensitivity of problem functions with respect to problem variables forms the basis for many of our modern day algorithms for engineering optimization. The most common application of problem sensitivities has been in the calculation of objective function and constraint partial derivatives for determining search directions and optimality conditions. A second form of sensitivity analysis, parameter sensitivity, has also become an important topic in recent years. By parameter sensitivity, researchers refer to the estimation of changes in the modeling functions and current design point due to small changes in the fixed parameters of the formulation. Methods for calculating these derivatives have been proposed by several authors (Armacost and Fiacco 1974, Sobieski et al 1981, Schmit and Chang 1984, and Vanderplaats and Yoshida 1985). Two drawbacks to estimating parameter sensitivities by current methods have been: (1) the need for second order information about the Lagrangian at the current point, and (2) the estimates assume no change in the active set of constraints. The first of these two problems is addressed here and a new algorithm is proposed that does not require explicit calculation of second order information.

Beltracchi, Todd J.↗
NASA NTRS1981

Potential application of satellite radar to monitor soil moisture

The microwave backscattering characteristics of soils as a function of moisture content are reviewed as a basis for the evaluation of the applicability of satellite radar to soil moisture determinations. Results of experiments showing the dependence of the complex dielectric constant, power reflection coefficient and backscattering coefficient of soil on its volumetric moisture content are presented. Results of a research program using the truck-mounted University of Kansas microwave active spectrometer to determine if, by the proper choice of sensor frequency, polarization and incidence, the sensor dynamic range in response to moisture variations may be greater than its response to other variations are considered in detail, and the optimum conditions of frequency (between 4 and 5 GHz), angular incidence (between 7 and 20 deg from nadir) and polarization (HH) obtained are indicated. An empirical model for the backscattering coefficient as a function of gravimetric moisture content derived on the basis of the experimental data is presented, and it is noted that available airborne and spaceborne data confirm the results of the ground-based sensors.

Ulaby, F. T.↗
NASA NTRS1992

Forcing function effects on unsteady aerodynamic gust response. I - Forcing functions

The paper investigates the fundamental gust modeling assumption on the basis of a series of experiments performed in the Purdue Annular Cascade Research Facility. The measured unsteady flow fields are compared to linear-theory gust requirements. The perforated plate forcing functions closely resemble linear-theory forcing functions, with the static pressure fluctuations small and the periodic velocity vectors parallel to the downstream mean-relative flow angle over the entire periodic cycle. The airfoil forcing functions exhibit characteristics far from linear-theory gusts, with the alignment of the velocity vectors and the static pressure fluctuation amplitudes dependent on the rotor-loading condition, rotor solidity, and the inlet mean-relative flow angle. It is shown that airfoil wakes, both compressor and turbine, cannot be modeled with the boundary conditions of current state-of-the-art linear unsteady aerodynamic theory.

Henderson, Gregory H.↗
DOE OSTI2022

Harmonizing model organism data in the Alliance of Genome Resources

The Alliance of Genome Resources (the Alliance) is a combined effort of 7 knowledgebase projects: Saccharomyces Genome Database, WormBase, FlyBase, Mouse Genome Database, the Zebrafish Information Network, Rat Genome Database, and the Gene Ontology Resource. The Alliance seeks to provide several benefits: better service to the various communities served by these projects; a harmonized view of data for all biomedical researchers, bioinformaticians, clinicians, and students; and a more sustainable infrastructure. The Alliance has harmonized cross-organism data to provide useful comparative views of gene function, gene expression, and human disease relevance. The basis of the comparative views is shared calls of orthology relationships and the use of common ontologies. The key types of data are alleles and variants, gene function based on gene ontology annotations, phenotypes, association to human disease, gene expression, protein–protein and genetic interactions, and participation in pathways. The information is presented on uniform gene pages that allow facile summarization of information about each gene in each of the 7 organisms covered (budding yeast, roundworm Caenorhabditis elegans, fruit fly, house mouse, zebrafish, brown rat, and human). The harmonized knowledge is freely available on the alliancegenome.org portal, as downloadable files, and by APIs. We expect other existing and emerging knowledge bases to join in the effort to provide the union of useful data and features that each knowledge base currently provides.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1967

Theoretical studies on the relationship between the thermionic work functions of refractory-metal intermetallic compounds and their electronic and crystal structures Final summary report

The Group VIA-Re binary systems are characterized by the presence of several intermediate phases. The u phase is present in all of the systems, but the a-Mn phases occur in only the Mo-Re and W-Re systems. The occurrence of these intermediate phases appears to be governed largely by electronic factors and is predictable on the basis of electron/atom ratio. The thermionic work functions of the intermediate phase materials were experimentally determined. function and the screening of the outermost electrons in the Group VIA metals was found. A correlation between the work As might be expected for purely metallic substances, the work functions were relatively high, in the range 4. 5 to 5. 0 eV, and in each case were bracketed by the work functions of the pure constituents. A discontinuous change in the average work function with composition is proposed, based on a thermodynamical treatment of the electron vapor.

REFRACTORY METAL↗
NASA NTRS1986

A generalized algorithm to design finite field normal basis multipliers

Finite field arithmetic logic is central in the implementation of some error-correcting coders and some cryptographic devices. There is a need for good multiplication algorithms which can be easily realized. Massey and Omura recently developed a new multiplication algorithm for finite fields based on a normal basis representation. Using the normal basis representation, the design of the finite field multiplier is simple and regular. The fundamental design of the Massey-Omura multiplier is based on a design of a product function. In this article, a generalized algorithm to locate a normal basis in a field is first presented. Using this normal basis, an algorithm to construct the product function is then developed. This design does not depend on particular characteristics of the generator polynomial of the field.

Wang, C. C.↗
DOE OSTI2023

Effects of anisotropy and disorder on the superconducting properties of niobium

We report results for the superconducting transition temperature and anisotropic energy gap for pure niobium based on Eliashberg’s equations and electron and phonon band structures computed from density functional theory. The electronic band structure is used to construct the Fermi surface and calculate the Fermi velocity at each point on the Fermi surface. The phonon bands are in excellent agreement with inelastic neutron scattering data. The corresponding phonon density of states and electron–phonon coupling define the electron–phonon spectral function, α 2 F(p, p'; ω), and the corresponding electron–phonon pairing interaction, which is the basis for computing the superconducting properties. The electron–phonon spectral function is in good agreement with existing tunneling spectroscopy data except for the spectral weight of the longitudinal phonon peak at ℏω LO = 23 meV. We obtain an electron–phonon coupling constant of λ = 1.057, renormalized Coulomb interaction μ* = 0.218, and transition temperature T c = 9.33 K. The corresponding strong-coupling gap at T = 0 is modestly enhanced, Δ 0 = 1.55 meV, compared to the weak-coupling BCS value $Δ^{\text {wc}}_{0}$ = 1.78 k B T c = 1.43 meV. The superconducting gap function exhibits substantial anisotropy on the Fermi surface. We analyze the distribution of gap anisotropy and compute the suppression of the superconducting transition temperature using a self-consistent T-matrix theory for quasiparticle-impurity scattering to describe niobium doped with non-magnetic impurities. We compare these results with experimental results on niobium SRF cavities doped with nitrogen impurities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Toward modeling a dynamic biological neural network

The organization of a mammalian macular endorgan is interpreted on physical and engineering principles. Having accomplished this task, it is possible to mathematically and symbolically model information processing by the macular neural network. A complex symbolic model is produced through use of mathematical notations that describe the functioning system. The model, consisting of six tiers, is constructed to mimic the neural system. On the basis of initial simulations, it is concluded that the network functions best when some of the detecting elements (i.e., type I hair cells) are weakly inhibitory. The simulations also illustrate the importance of disinhibition of receptors located in the third tier in shaping nerve discharge patterns at the sixth tier in the model system.

Ross, M. D.↗
NASA NTRS1976

A kinetic-theory approach to turbulent chemically reacting flows

The paper examines the mathematical and physical foundations for the kinetic theory of reactive turbulent flows, discussing the differences and relation between the kinetic and averaged equations, and comparing some solutions of the kinetic equations obtained by the Green's function method with those obtained by the approximate bimodal method. The kinetic method described consists essentially in constructing the probability density functions of the chemical species on the basis of solutions of the Langevin stochastic equation for the influence of eddies on the behavior of fluid elements. When the kinetic equations are solved for the structure of the diffusion flame established in a shear layer by the bimodal method, discontinuities in gradients of the mean concentrations at the two flame edges appear. This is a consequence of the bimodal approximation of all distribution functions by two dissimilar half-Maxwellian functions, which is a very crude approximation. These discontinuities do not appear when the solutions are constructed by the Green's function method described here.

Chung, P. M.↗
NASA NTRS1988

MODIS information, data and control system (MIDACS) level 2 functional requirements

The MODIS Information, Data and Control System (MIDACS) Level 2 Functional Requirements Document establishes the functional requirements for MIDACS and provides a basis for the mutual understanding between the users and the designers of the EosDIS, including the requirements, operating environment, external interfaces, and development plan. In defining the requirements and scope of the system, this document describes how MIDACS will operate as an element of the EOS within the EosDIS environment. This version of the Level 2 Requirements Document follows an earlier release of a preliminary draft version. The sections on functional and performance requirements do not yet fully represent the requirements of the data system needed to achieve the scientific objectives of the MODIS instruments and science teams. Indeed, the team members have not yet been selected and the team has not yet been formed; however, it has been possible to identify many relevant requirements based on the present concept of EosDIS and through interviews and meetings with key members of the scientific community. These requirements have been grouped by functional component of the data system, and by function within each component. These requirements have been merged with the complete set of Level 1 and Level 2 context diagrams, data flow diagrams, and data dictionary.

Han, D.↗
DOE OSTI2022

Importance of imposing gauge invariance in time-dependent density functional theory calculations with meta-generalized gradient approximations

It has been known for more than a decade that the gauge variance of the kinetic energy density τ leads to additional terms in the magnetic orbital rotation Hessian used in linear-response time-dependent density functional theory (TDDFT), affecting excitation energies obtained with τ-dependent exchange–correlation functionals. While previous investigations found that a correction scheme based on the paramagnetic current density has a small effect on benchmark results, we report more pronounced effects here, in particular, for the popular M06-2X functional and for some other meta-generalized gradient approximations (mGGAs). In the first part of this communication, this is shown by a reassessment of a set of five Ni(II) complexes for which a previous benchmark study that did not impose gauge invariance has found surprisingly large errors for excitation energies obtained with M06-2X. These errors are more than halved by restoring gauge invariance. The variable importance of imposing gauge invariance for different mGGA-based functionals can be rationalized by the derivative of the mGGA exchange energy integrand with respect to τ. In the second part, a large set of valence excitations in small main-group molecules is analyzed. For M06-2X, several selected n → π* and π→π$^{*}_{⊥}$ excitations are heavily gauge-dependent with average changes of –0.17 and –0.28 eV, respectively, while π→π$^{*}_{∥}$ excitations are marginally affected (–0.04 eV). Similar patterns, but of the opposite signs, are found for SCAN0. Here, the results suggest that reevaluation of previous gauge variant TDDFT results based on M06-2X and other mGGA functionals is warranted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Molecular NMR shieldings, J -couplings, and magnetizabilities from numeric atom-centered orbital based density-functional calculations

This paper reports and benchmarks a new implementation of nuclear magnetic resonance shieldings, magnetizabilities, and J-couplings for molecules within semilocal density functional theory, based on numeric atom-centered orbital (NAO) basis sets. NAO basis sets are attractive for the calculation of these nuclear magnetic resonance (NMR) parameters because NAOs provide accurate atomic orbital representations especially near the nucleus, enabling high-quality results at modest computational cost. Moreover, NAOs are readily adaptable for linear scaling methods, enabling efficient calculations of large systems. Here, the paper has five main parts: (1) It reviews the formalism of density functional calculations of NMR parameters in one comprehensive text to make the mathematical background available in a self-contained way. (2) The paper quantifies the attainable precision of NAO basis sets for shieldings in comparison to specialized Gaussian basis sets, showing similar performance for similar basis set size. (3) The paper quantifies the precision of calculated magnetizabilities, where the NAO basis sets appear to outperform several established Gaussian basis sets of similar size. (4) The paper quantifies the precision of computed J-couplings, for which a group of customized NAO basis sets achieves precision of ~Hz for smaller basis set sizes than some established Gaussian basis sets. (5) The paper demonstrates that the implementation is applicable to systems beyond 1000 atoms in size.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1984

The non-Gaussian joint probability density function of slope and elevation for a nonlinear gravity wave field

On the basis of the mapping method developed by Huang et al. (1983), an analytic expression for the non-Gaussian joint probability density function of slope and elevation for nonlinear gravity waves is derived. Various conditional and marginal density functions are also obtained through the joint density function. The analytic results are compared with a series of carefully controlled laboratory observations, and good agreement is noted. Furthermore, the laboratory wind wave field observations indicate that the capillary or capillary-gravity waves may not be the dominant components in determining the total roughness of the wave field. Thus, the analytic results, though derived specifically for the gravity waves, may have more general applications.

Huang, N. E.↗
NASA NTRS2024

Toward 2D Dynamo Models Calibrated by Global 3D Relativistic Accretion Disk Simulations

Two-dimensional models assuming axisymmetry are an economical way to explore the long-term evolution of black hole accretion disks, but they are only realistic if the feedback of the nonaxisymmetric turbulence on the mean momentum and magnetic fields is incorporated. Dynamo terms added to the 2D induction equation should be calibrated to 3D MHD simulations. For generality, the dynamo tensors should be calibrated as functions of local variables rather than explicit functions of spatial coordinates in a particular basis. In this paper, we study the feedback of non-axisymmetric features on the 2D mean fields using a global 3D, relativistic, Cartesian simulation from the Illinois GRMHD code. We introduce new methods for estimating overall dynamo alpha and turbulent diffusivity effects as well as measures of the dominance of non-axisymmetric components of energies and fluxes within the disk interior. We attempt closure models of the dynamo EMF using least squares fitting, considering both models where coefficient tensors are functions of space and more global, covariant models. None of these models are judged satisfactory, but we are able to draw conclusions on what sorts of generalizations are and are not promising.

Matthew D Duez↗
NASA NTRS1987

Theoretical study of the dipole moment function of OH(X 2Pi)

A complete theoretical electric dipole moment function mu(r) is computed for OH(X 2Pi) at the full configuration-interaction (FCI) level for DZP + diffuse Gaussian basis set. The energy and dipole moment are also determined with 2d functions on oxygen at seven r values. The following methods are compared to the FCI for both the oxygen 1d and 2d basis sets: single-reference singles-plus-doubles configuration interaction (SDCI), SDCI with Davidson's correction, the coupled pair functional approach (CPF) and a modified form of CPF, CASSCF, and CASSCF-MRSDCI, and the external contracted CI(CCI) method. The dipole moments are evaluated both as an expectation value and by finite-field methods. The results support the superiority of evaluating the dipole moment as an energy derivative rather than as an expectation value.

Langhoff, Stephen R.↗
NASA NTRS1987

Some numerical calculations by using linear classical sonic theories approached from sub- or supersonic speeds

The unsteady aerodynamics of a two-dimensional wing at sonic speed are studied by using so-called classical sonic theories (linear), approached from supersonic flow (M=1+0) or subsonic flow (M=1-0). In the former approach, the exact expressions of lift and lift distribution are obtained in terms of Fresnel integrals, while in the latter approach an integral equation must be solved, the kernel function of which is obtained from the subsonic Possio's equation and has a root singularity. The discrete analysis is adopted on the basis of the semicircle method (SCM) and the weighting function for subsonic-flow-Gauss-quadrature, as well as modified characteristics obtained from both approaches agree quite well with each other. The results obtained by the present computations are compared with those of DLM-C (subsonic 2D code) developed by ANDO et al, and are found to give a reasonable outer boundary for subsonic unsteady aerodynamics.

Yamamoto, Y.↗