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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Penetration of solar irradiances through the atmosphere and plant canopies.

The equation of radiative transfer is applied to an analysis of solar irradiances penetrating into a plant canopy covered by a turbid atmosphere. The method of discrete coordinates is applied to vertically inhomogeneous atmospheres and plant canopies. It is shown that four-point quadrature yields results with an accuracy that is consistent with irradiance measurements. It is believed that the presented computational scheme may have considerable agricultural applications.

Weinman, J. A.↗
NASA NTRS1982

Distorted reflector antenna performance prediction technique

The application of a 3-D curve-fit technique to the electromagnetic analysis of reflector antennas is presented. the reflector antennas are described by the coordinates of an irregular distribution of measured points on the reflector surface. The reflector antenna analysis method used to calculate radiation patterns is geometric-optics with aperture-integration since an efficient and accurate computer code was readily available for modification.

Bailey, M. C.↗
NASA NTRS1984

Numerical simulation of the viscous flow fields over three-dimensional complicated geometries

A 'thin-layer' Navier-Stokes code capable of predicting steady state viscous flows is applied to complicated three-dimensional flow fields. The code is written in a generalized coordinate system, and a recently developed grid generation procedure is used for the flow-field discretization. Application is made to the vortical flow over a delta wing at high angle of attack, and the computed results are compared with experimental results. The results indicate that the present method can capture the physical phenomenon well. It is observed that a leading-edge separation vortex is formed over the wing, as is a secondary separation vortex near the leading edge. The flow field behind the trailing edge is also well described. Application is also made to the transonic flow over the Shuttle configuration. The result appears to be reasonable even though no experimental data are available for comparison. These results indicate that the present approach is capable of computing complicated three-dimensional flow fields.

Fujii, K.↗
NASA NTRS1991

A fractional step solution method for the unsteady incompressible Navier-Stokes equations in generalized coordinate systems

The time-dependent, three-dimensional incompressible Navier-Stokes equations are presently solved in generalized coordinate systems by means of a fractional-step method whose primitive variable formulation uses as dependent variables, in place of the Cartesian components of the velocity: (1) pressure (defined at the center of the computational cell), and (2) volume fluxes across the faces of the cells. The momentum equations are solved by means of an approximate factorization method. A novel 'ZEBRA' scheme incorporating four-color ordering efficiently solves the Poisson equation. Illustrative two- and three-dimensional laminar flow test cases are computed and evaluated relative to extant numerical and experimental results, and good agreement is obtained.

Rosenfeld, Moshe↗
NASA NTRS1992

Design for interaction between humans and intelligent systems during real-time fault management

Initial results are reported to provide guidance and assistance for designers of intelligent systems and their human interfaces. The objective is to achieve more effective human-computer interaction (HCI) for real time fault management support systems. Studies of the development of intelligent fault management systems within NASA have resulted in a new perspective of the user. If the user is viewed as one of the subsystems in a heterogeneous, distributed system, system design becomes the design of a flexible architecture for accomplishing system tasks with both human and computer agents. HCI requirements and design should be distinguished from user interface (displays and controls) requirements and design. Effective HCI design for multi-agent systems requires explicit identification of activities and information that support coordination and communication between agents. The effects are characterized of HCI design on overall system design and approaches are identified to addressing HCI requirements in system design. The results include definition of (1) guidance based on information level requirements analysis of HCI, (2) high level requirements for a design methodology that integrates the HCI perspective into system design, and (3) requirements for embedding HCI design tools into intelligent system development environments.

Malin, Jane T.↗
NASA NTRS1994

Self-consistent steady state model of the low-latitude boundary layer

Results are presented from a steady state numerical model of the low-latitude boundary layer (LLBL) on closed field lines and its coupling to the dayside auroral ionosphere. In the model the boundary layer approximation is used, the result being that inertial forces are taken into account only in the main flow direction (-x) where they are balanced by pressure forces, j x B forces, and viscous forces. Motion in the transverse directions (y and z) is treated kinematically, the force balances in these two directions being purely static. Computationally, the model is two dimensional, describing the motion of plasma and frozen-in magnetic field in the equatorial (xy) plane but allowing for lowest-order polynomial variation of some quantities with the coordinate (z) perpendicular to that plane. The plasma expands and compresses isentropically; the magnetic field is calculated self-consistently, which leads to approximately parabolic field line shape in planes parallel to the magnetopause (the xz plane), with maximum field curvature near the magnetopause edge of the LLBL. Coupling to the ionosphere via region 1 field-aligned currents is included. The effects of the ionosphere are represented by two parallel resistive plates at fixed height above and below the equatorial plane. The model can be used to investigate the influence of various physical parameters, for example, viscous and magnetic Reynolds numbers, and of boundary conditions at the magnetopause and in the magnetosphere on the LLBL development in the -x direction. Special attention is given to viscous effects which, under suitable circumstances, lead to a region 1 current that first increases and then reduces with increasing longitude away from local noon. Asymptotic matching of the antisunward motion of the cool LLBL plasma to sunward convection of hot plasma in the magnetosphere is illustrated along with the entrainment of magnetospheric plasma by the antisunward LLBL flow.

Drakou, E.↗
NASA NTRS1994

The analysis of star catalogs. 1: An intercomparison among the FK3, the FK4, and the FK5

Progress in the construction of the fundamental catalogs allows one to ask the following questions: 'Now that we have the FK5 with which to measure by, how good was the FK4? The FK3? How realistic were the error estimates they gave for their equatorial coordinates and their proper motions? Have their residual systematic differences continued to decrease in amplitude?' and so forth. Similar questions could be asked of the GC and the N30, and a companion paper will similarly analyze them. Finally, the identical series of questions could be asked of the AGK2, AGK3, AGK3U sequence. In this paper we develop a general method to objectively investigate, post facto, the true quality of star catalog error estimates. We present a complete mathematical formulation of the questions above and delineate the calculations needed to address them. Our initial numerical applications are restricted to a straightforward examination of the mean errors of the coordinates and proper motions in the FK3 (using the FK4 and the FK5 for comparison) and in the FK4 (using the FK5 for comparison). However, we can simply and consistently interpret the results of these computations -- for the FK catalogs fail to follow the predictions of mathematical statistics -- only if the FK3 and the FK4 contain higher angular frequency systematic errors. These errors, at the mean epochs of place of the older catalogs, are larger than the random errors in the FK5 system. We expect that our new ability to discern these features means that we can also prevent them during compilation. Finally, note that the concepts behind our procedures are completely general and can be applied to any set of compiled data -- astrometric, photometric, geodetic, and so forth.

Bucciarelli, B.↗
NASA NTRS1999

Progress in a Study of Striations in the Dust Tail of Comet Hale-Bopp (C/1995 O1)

We report preliminary results of a massive investigation of the striation patterns observed in the dust tail of comet Hale-Bopp in March and April 1997. Our findings are based on 16 wide-field photographs taken with Schmidt cameras on March 2-20, with six more, from March 31-April 8, still waiting for analysis. Altogether approximately 700 individual striae were examined on the 16 images, which were scanned and computer processed to enhance the morphology. About 5300 stria points, or some 7-8 points per stria per image on the average, were measured and their astrometric positions determined and subsequently converted to a Cartesian coordinate system, aligned with the comet's projected radius vector and centered on the nucleus. The evolution of the striated tail has been studied using the Sekanina-Farrell fragmentation hypothesis (AJ 85, 1538, 1980), previously applied to other comets. This two-step model is characterized by the time of release from the nucleus of a parent object (or objects) whose motion is assumed to have been subjected to a constant repulsive acceleration beta(sub p) (presumably due to solar radiation pressure) until the time of fragmentation.

Sekanina, Z.↗
NASA NTRS1998

Computational Model of Human and System Dynamics in Free Flight: Studies in Distributed Control Technologies

This paper presents a set of studies in full mission simulation and the development of a predictive computational model of human performance in control of complex airspace operations. NASA and the FAA have initiated programs of research and development to provide flight crew, airline operations and air traffic managers with automation aids to increase capacity in en route and terminal area to support the goals of safe, flexible, predictable and efficient operations. In support of these developments, we present a computational model to aid design that includes representation of multiple cognitive agents (both human operators and intelligent aiding systems). The demands of air traffic management require representation of many intelligent agents sharing world-models, coordinating action/intention, and scheduling goals and actions in a potentially unpredictable world of operations. The operator-model structure includes attention functions, action priority, and situation assessment. The cognitive model has been expanded to include working memory operations including retrieval from long-term store, and interference. The operator's activity structures have been developed to provide for anticipation (knowledge of the intention and action of remote operators), and to respond to failures of the system and other operators in the system in situation-specific paradigms. System stability and operator actions can be predicted by using the model. The model's predictive accuracy was verified using the full-mission simulation data of commercial flight deck operations with advanced air traffic management techniques.

Corker, Kevin M.↗
NASA NTRS2004

Low Emissions Alternative Power (LEAP) Project Office Business Team of the Aeropropulsion Research Program Office (ARPO) Org. 0140

The program for which I am working at this summer is Propulsion and Power/Low Emissions Alternative Power (P&P/LEAP). It invests in a fundamental TRL 1-6 research and technology portfolio that will enable the future of: Alternative fuels and/or alternative propulsion systems, non-combustion (electric) propulsion systems. P&P/LEAP will identify and capitalize on the highest potential concepts generated both internal and external to the Agency. During my 2004 summer at NASA Glenn Research Center, I worked with my mentor Barbara Mader, in the Project Office with the Business Team completing various tasks for the project and personnel. The LEAP project is a highly matrixed organization. The Project Office is responsible for the goals advocacy and dollar (budget) of the LEAP project. The objectives of the LEAP Project are to discover new energy sources and develop unconventional engines and power systems directed towards greatly reduced emissions, enable new vehicle concepts for public mobility, new science missions and national security. The Propulsion and PowerLow Emissions Alternative Power directly supports the environmental, mobility, national security objectives of the Vehicle Systems Program and the Aeronautics Technology Theme. Technology deliverables include the demonstration through integrated ground tests, a constant volume combustor in an engine system, and UAV/small transport aircraft all electric power system. My mentor serves as a key member of the management team for the Aeropropulsion Research Program Office (ARPO). She has represented the office on numerous occasions, and is a member of a number of center-wide panels/teams, such as the Space management Committee and is chair to the Business Process Consolidation Team. She is responsible for the overall coordination of resources for the Propulsion and Power Project - from advocacy to implementation. The goal for my summer at NASA was to document processes and archive program documents from the past years. I used the computer and office machines, and also worked with personnel in setting up a Cost Estimation Plan. I gained office experience in Word, Excel, and Power Point, with the completion of a variety of tasks. I made spreadsheets that pertained to the budget plan for Journey to Tomorrow, to name a few I have supported the office by tracking resource information: including programmatic travel, project budget at the center level to budgets for individual research sub-projects and grants. I also assisted the Program Support Office in their duties including, representing the office on numerous occasions on center-wide team/panels, such as the Space management committee, IFMP Budget Formulation, Journey to Tomorrow Committee, and the Vehicle Systems Program Business Process Team.

Buttler, Jennifer A.↗
NASA NTRS2010

Stability of Hypersonic Boundary Layers on a Cone at an Angle of Attack

The stability and receptivity of a three-dimensional hypersonic boundary layer over a 7deg half-angle straight cone at an angle of attack of 6deg is numerically investigated at a freestream Mach number of 6.0 and a Reynolds number of 10.4x10(exp 6)/m. The generation and evolution of stationary crossflow vortices are also investigated by performing simulations with three-dimensional roughness elements located on the surface of the cone. The flow fields with and without the roughness elements are obtained by solving the full Navier- Stokes equations in cylindrical coordinates using a fifth-order accurate weighted essentially non-oscillatory (WENO) scheme for spatial discretization and a third-order total-variation-diminishing (TVD) Runge-Kutta scheme for temporal integration. Stability computations produced azimuthal wavenumbers in the range of m approx. 20-50 for the most amplified traveling disturbances and in the range of m approx.30-70 for the stationary disturbances. The frequency of the unstable second-mode ranges from 400 kHz to 900 kHz along the windward ray. The N-Factor computations predicted transition would occur more forward on the sides of the cone as compared to the transition fronts near the windward and the leeward rays. The simulations also show the crossflow vortices originating from the nose region propagate towards the leeward ray. No perturbations were observed toward the windward half of the cone.

Balakumar, P.↗
NASA NTRS1990

Algorithm development for Maxwell's equations for computational electromagnetism

A new algorithm has been developed for solving Maxwell's equations for the electromagnetic field. It solves the equations in the time domain with central, finite differences. The time advancement is performed implicitly, using an alternating direction implicit procedure. The space discretization is performed with finite volumes, using curvilinear coordinates with electromagnetic components along those directions. Sample calculations are presented of scattering from a metal pin, a square and a circle to demonstrate the capabilities of the new algorithm.

Goorjian, Peter M.↗
DOE OSTI2020

Advancement of Actinide Metal–Organic Framework Chemistry via Synthesis of Pu-UiO-66

We report the synthesis and characterization of the first plutonium metal–organic framework (MOF). Pu-UiO-66 expands the established UiO-66 series, which includes transition metal, lanthanide, and early actinide elements in the hexanuclear nodes. The thermal stability and porosity of Pu-UiO-66 were experimentally determined, and multifaceted computational methods were used to corroborate experimental values, examine inherent defects in the framework, decipher spectroscopic signatures, and elucidate the electronic structure. The crystallization of a plutonium chain side product provides direct evidence of the competition that occurs between modulator and linker in MOF syntheses. Ultimately, the synthesis of Pu-UiO-66 demonstrates adept control of Pu(IV) coordination under hydrolysis-prone conditions, provides an opportunity to extend trends across isostructural UiO-66 frameworks, and serves as the foundation for future plutonium MOF chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Hierarchical, rotation‐equivariant neural networks to select structural models of protein complexes

Abstract Predicting the structure of multi‐protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage predefined structural features to distinguish accurate structural models from less accurate ones. This raises the question of whether it is possible to learn characteristics of accurate models directly from atomic coordinates of protein complexes, with no prior assumptions. Here we introduce a machine learning method that learns directly from the 3D positions of all atoms to identify accurate models of protein complexes, without using any precomputed physics‐inspired or statistical terms. Our neural network architecture combines multiple ingredients that together enable end‐to‐end learning from molecular structures containing tens of thousands of atoms: a point‐based representation of atoms, equivariance with respect to rotation and translation, local convolutions, and hierarchical subsampling operations. When used in combination with previously developed scoring functions, our network substantially improves the identification of accurate structural models among a large set of possible models. Our network can also be used to predict the accuracy of a given structural model in absolute terms. The architecture we present is readily applicable to other tasks involving learning on 3D structures of large atomic systems.

Eismann, Stephan↗
DOE OSTI2024

Scalar-graviton amplitudes and celestial holography

We compute scattering amplitudes involving one massive scalar and two, three, or four gravitons. We show that when the conformal dimension of the massive scalar is set to zero, the resulting celestial correlators depend only on the coordinates of the gravitons. Such correlators of gravitons are well-defined and do not suffer from divergences associated with the Mellin transform of usual graviton amplitudes. Moreover, they are non-distributional and take the form of standard CFT correlators. We show that they are consistent with the usual OPEs but the statement of the soft theorem is modified.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Efficient Fourier transforms for transverse momentum dependent distributions

Hadron production at low transverse momenta in semi-inclusive deep inelastic scattering can be described by transverse momentum dependent (TMD) factorization. This formalism has also been widely used to study the Drell-Yan process and back-to-back hadron pair production in $e^+e^-$ collisions. These processes are the main ones for extractions of TMD parton distribution functions and TMD fragmentation functions, which encode important information about nucleon structure and hadronization. One of the most widely used TMD factorization formalism in phenomenology formulates TMD observables in coordinate $b_\perp$-space, the conjugate space of the transverse momentum. The Fourier transform from $b_\perp$-space back into transverse momentum space is sufficiently complicated due to oscillatory integrands that it requires a careful and computationally intensive numerical treatment in order to avoid potentially large numerical errors. Within the TMD formalism, the azimuthal angular dependence is analytically integrated and the two-dimensional $b_\perp$ integration reduces to a one-dimensional integration over the magnitude $b_\perp$. In this paper we develop a fast numerical Hankel transform algorithm for such a $b_\perp$-integration that improves the numerical accuracy of TMD calculations in all standard processes. Libraries for this algorithm are implemented in Python 2.7 and 3, C++, as well as FORTRAN77. All packages are made available open source.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Ligand-Functionalized Polymer Membranes for Selective Ion Separations

Selective ion separations are central to technologies spanning water purification, resource recovery, and clean energy. Conventional polymer membranes, which rely on steric hindrance or Donnan exclusion, struggle to discriminate between chemically similar ions in high-ionic-strength environments. Ligand-functionalized membranes offer a transformative strategy by embedding molecular recognition directly into polymer matrices, enabling selective complexation and transport. Here, this Viewpoint highlights the structure–function relationships underlying ligand-mediated ion separation, emphasizing the interplay of dehydration penalties, ligand coordination, and nanoscale confinement. We discuss design principles, denticity, donor identity, rigidity, and spatial organization, alongside the permeability–selectivity trade-off, multicomponent effects, and stability challenges. Finally, we outline emerging strategies, from bioinspired ligands to computationally guided design, that chart a path toward next-generation membranes for precise and energy-efficient ion separations.

ions↗
DOE OSTI2022

Stochastic evaluation of four-component relativistic second-order many-body perturbation energies: A potentially quadratic-scaling correlation method

A second-order many-body perturbation correction to the relativistic Dirac-Hartree-Fock energy is evaluated stochastically by integrating 13-dimensional products of four-component spinors and Coulomb potentials. The integration in the real space of electron coordinates is carried out by the Monte Carlo (MC) method with the Metropolis sampling, whereas the MC integration in the imaginary-time domain is performed by the inverse-CDF (cumulative distribution function) method. The computational cost to reach a given relative statistical error for spatially compact but heavy molecules is observed to be no worse than cubic and possibly quadratic with the number of electrons or basis functions. This is a vast improvement over the quintic scaling of the conventional, deterministic second-order many-body perturbation method. The algorithm is also easily and efficiently parallelized with demonstrated 92% strong scalability going from 64 to 4096 processors for a fixed job size.

74 ATOMIC AND MOLECULAR PHYSICS↗