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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation

Our research presents shock tube experiments and kinetic modeling efforts on the pyrolysis and combustion of JP-10. The experiments were performed at 6–8 atm using 2000 ppm of JP-10 over a temperature range of 1000–1600 K for pyrolysis and oxidation equivalence ratios from 0.14 to 1.0. This work distinguishes itself from previous studies as GC/MS was used to identify and quantify the products within the shocked samples, enabling the tracking of product yield dependence on equivalence ratio as well as identifying several new intermediates that form during JP-10’s decomposition. A detailed, comprehensive model of JP-10’s combustion and pyrolysis kinetics was constructed with the help of RMG, an open-source reaction mechanism generation software package. The resulting model, which includes 691 species reacting in 15,518 reactions, was extensively validated against the shock tube experimental dataset as well as newly published flow tube pyrolysis data from Ghent. Most of the significant rate coefficients were computed using quantum chemistry. The model succeeds in identifying all major pyrolysis and combustion products and captures key trends in the product distribution. Simulated ignition delays agree within a factor of 4 with most experimental ignition delay data gathered from literature. The proposed experimental work and modeling efforts yield new insights on JP-10’s complex decomposition and oxidation chemistry and identify key pathways towards aromatics formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Time-reversal symmetric resolution of unity without background integrals in open quantum systems

We present a new complete set of states for a class of open quantum systems, to be used in expansion of the Green’s function and the time-evolution operator. A remarkable feature of the complete set is that it observes time-reversal symmetry in the sense that it contains decaying states (resonant states) and growing states (anti-resonant states) parallelly. We can thereby pinpoint the occurrence of the breaking of time-reversal symmetry at the choice of whether we solve Schrödinger equation as an initial-condition problem or a terminal-condition problem. Another feature of the complete set is that in the subspace of the central scattering area of the system, it consists of contributions of all states with point spectra but does not contain any background integrals. In computing the time evolution, we can clearly see contribution of which point spectrum produces which time dependence. In the whole infinite state space, the complete set does contain an integral but it is over unperturbed eigenstates of the environmental area of the system and hence can be calculated analytically. We demonstrate the usefulness of the complete set by computing explicitly the survival probability and the escaping probability as well as the dynamics of wave packets. The origin of each term of matrix elements is clear in our formulation, particularly, the exponential decays due to the resonance poles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1979

An analytical study of electric vehicle handling dynamics

Hypothetical electric vehicle configurations were studied by applying available analytical methods. Elementary linearized models were used in addition to a highly sophisticated vehicle dynamics computer simulation technique. Physical properties of specific EV's were defined for various battery and powertrain packaging approaches applied to a range of weight distribution and inertial properties which characterize a generic class of EV's. Computer simulations of structured maneuvers were performed for predicting handling qualities in the normal driving range and during various extreme conditions related to accident avoidance. Results indicate that an EV with forward weight bias will possess handling qualities superior to a comparable EV that is rear-heavy or equally balanced. The importance of properly matching tires, suspension systems, and brake system front/rear torque proportioning to a given EV configuration during the design stage is demonstrated.

Greene, J. E.↗
NASA NTRS1983

Characteristics of Sunset radar

Located in a narrow canyon 15 km west of Boulder, Colorado, the Sunset pulsed Doppler radar was the first radar designed and constructed specifically as a VHF ST radar. The antenna system is a phased array of coaxial-colinear dopoles with computer-controlled phase shifters for each line of dipoles. It operates at a frequency of 40.475 MHz and a wavelength of 7.41M. Peak transmitter power is 100 kW. Aperture efficiency is 0.58 and resistive loss is 0.30 for its 3600 sq m area. The practical steering rate is 1 record/minute/position to any arbitrary antenna beam position. The first clear-air turbulence echoes and wind velocity measurements were obtained in 1974. Significant accomplishments are listed.

Green, J. L.↗
NASA NTRS2013

"Green Planet Architecture"-A Methodology for Self-Sustainable Distributed Renewable Energy Ecosystems

This planet has been endowed with a host of natural mechanisms to keep the environment and climate in balance. Humans are now facing the need to restore this balance that has been upset in the past years because of a growing population and resource demands. To steer dependency away from freshwater crops and decrease environmental damage from humanity s fuel and energy demands, it is necessary to take advantage of the natural adaptive biomass resources that are already in place. Using methods of "Green Planet Architecture," based on compilations of current research and procedures, could lead to new forms of energy and fueling as well as new sources for food and feed. Green Planet Architecture involves climatic adaptive biomass; geospatial intelligence; agri- and aqua-culture life cycles; and soil, wetland, and shoreline restoration. Plants such as Salicornia, seashore mallow, castor, mangroves, and perhaps Moringa can be modified (naturally, model-assisted, or genetically) to thrive in salt water and brackish water or otherwise not arable conditions, making them potentially new crops that will not displace traditional farming. These fueling sources also have potential to be used in other rapid-growth industries, such as the aviation industry, that have incentive to move towards more sustainable fuel supplies. This report highlights an example of how synergistic development of biomass resources and geospatial intelligence high-performance computing capabilities can be focused to resolve potential drought-famine problems. These techniques provide a basis for future e-science-based discovery (and access) through technology that can be expanded to support global societal applications.

Saxena, Nikita T.↗
DOE OSTI2020

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Demonstration of Algorithm for Sensor Placement Optimization using Simulation Data

This deliverable reports FY26 progress in advancing a neural-network-based Green’s-function framework for reconstructing neutron-flux distributions from ex-core measurements and for translating reconstruction requirements into a practical detector-layout strategy. Building on the FY25 formulation, the present work had two main objectives: (1) refine and re-evaluate the reconstruction methodology on an updated Purdue University Reactor Number One (PUR-1) model, and (2) develop a systematic, Green’s-function-guided procedure for boundary detector placement.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

UAS remote sensing (Osprey platform): Red-green-blue (RGB) imagery, thermal infrared (TIR) imagery, and canopy reflectance, Seward Peninsula, Alaska, 2019

Airborne remote sensing data collected using the Brookhaven National Laboratory's (BNL) heavy-lift unoccupied aerial system (UAS) octocopter platform - the Osprey - operated by the Terrestrial Ecosystem Science and Technology (TEST) group (https://www.bnl.gov/testgroup). This package includes data from 17 flights flown over the NGEE-Arctic Council Mile Maker 64 (MM64) and Teller MM27 sites in July, 2019. The Osprey is a multi-sensor UAS platform that simultaneously measures very high spatial resolution optical red/green/blue (RGB) and thermal infrared (TIR) surface "skin" temperature imagery, as well as surface reflectance at 1 nm intervals in the visible to near-infrared spectral range from ~350-1000 nm measured at regular intervals along each flight path. This package provide the Level 0 (raw, unprocessed) data collected by the Osprey platform. Ancillary aircraft data, flight mission parameters, and general flight conditions provided by the onboard flight and data collection computers are also included. Data and metadata are provided as text (*.txt, *.json), tabular (*.dat, *.csv, *.waypoint), and image (*.jpg) formats. This metadata document contains flight campaign, instrument and file metadata, along with a description of the L0 data, and file naming scheme. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1980

Polarization characteristics of an altazimuth sky scanner

A theoretical description of the polarization characteristics of an altazimuth sky scanner optical system based on Mueller-Stokes calculus is presented. This computer-driven optical system was designed to perform laboratory studies of skylight and of celestial objects during day or night, and has no space limitations; however, the two parallel 45 deg tilt mirrors introduce some intrinsic polarization. Therefore, proper data interpretation requires a theoretical understanding of the polarization features of the instrument and accurate experimental determination of the Mueller-Stokes matrix elements describing the polarizing and depolarizing action of the system.

Garrison, L. M.↗
DOE OSTI2013

Theoretical investigation of spin-filtering in CrAs/GaAs heterostructures

The electronic structure of bulk zinc-blende GaAs, zinc-blende and tetragonal CrAs, and CrAs/GaAs supercells, computed within linear muffin-tin orbital (LMTO) local spin-density functional theory, is used to extract the band alignment for the [1,0,0] GaAs/CrAs interface in dependence of the spin orientation. With the lateral lattice constant fixed to the experimental bulk GaAs value, a local energy minimum is found for a tetragonal CrAs unit cell with a longitudinal ([1,0,0]) lattice constant reduced by ≈2%. Due to the identified spin-dependent band alignment, half-metallicity of CrAs no longer is a key requirement for spin-filtering. Based on these findings, we study the spin-dependent tunneling current in [1,0,0] GaAs/CrAs/GaAs heterostructures within the non-equilibrium Green's function approach for an effective tight-binding Hamiltonian derived from the LMTO electronic structure. Results indicate that these heterostructures are promising candidates for efficient room-temperature all-semiconductor spin-filtering devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2012

Green Planet Architecture - A Methodology for Self-Sustainable Distributed Renewable Energy Ecosystems

Our planet has been endowed with a host of natural mechanisms to keep the environment and climate in balance. Humans are now facing the need to restore this balance that has been upset in the past years because of a growing population and resource demands. To steer dependency away from freshwater crops and decrease environmental damage from humanity s fuel and energy demands, it is necessary to take advantage of the natural adaptive biomass resources that are already in place. Using methods of Green Planet Architecture, based on compilations of current research and procedures, could lead to new forms of energy and fueling as well as new sources for food and feed. Green Planet Architecture involves climatic adaptive biomass; geospatial intelligence; agri- and aqua-culture life cycles; and soil, wetland, and shoreline restoration. Plants such as Salicornia, seashore mallow, castor, mangroves, and perhaps Moringa can be modified (natural, model-assisted, or genetically modified) to thrive in salt-water and brackish water or otherwise not arable conditions, making them potentially new crops that will not displace traditional farming. These fueling sources also have potential to be used in other rapid-growth industries, such as the aviation industry, that have incentive to move towards more sustainable fuel supplies. This paper highlights an example of how synergistic development of biomass resources and geospatial intelligence high-performance computing capabilities can be focused to resolve potential drought-famine problems. These techniques, provide a basis for future e-science-based discovery (and access) through technology that can be expanded to support global societal applications.

Saxena, Nikita T.↗
DOE OSTI2024

UAS remote sensing (Osprey platform): Red-green-blue (RGB) imagery, thermal infrared (TIR) imagery, and canopy reflectance, Seward Peninsula, Alaska, 2018

Airborne remote sensing data collected using the Brookhaven National Laboratory's (BNL) heavy-lift unoccupied aerial system (UAS) octocopter platform - the Osprey - operated by the Terrestrial Ecosystem Science and Technology (TEST) group. This package includes data from 34 flights flown over the NGEE-Arctic Council Mile Maker 72 (MM72), Kougarok MM64, Kougarok MM80, and Teller MM27 sites in July, 2018. The Osprey is a multi-sensor UAS platform that simultaneously measures very high spatial resolution optical red/green/blue (RGB) and thermal infrared (TIR) surface "skin" temperature imagery, as well as surface reflectance at 1 nm intervals in the visible to near-infrared spectral range from ~350-1000 nm measured at regular intervals along each flight path. This package provide the Level 0 (raw, unprocessed) data collected by the Osprey platform. Ancillary aircraft data, flight mission parameters, and general flight conditions provided by the onboard flight and data collection computers are also included. Data and metadata are provided as text (*.txt, *.json), tabular (*.dat, *.csv, *.waypoint), and image (*.jpg) formats. This metadata document contains flight campaign, instrument and file metadata, along with a description of the L0 data, and file naming scheme. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1982

The results of initial analysis of OSTA-1/Ocean Color Experiment (OCE) imagery

Ocean view images from the Ocean Color Experiment (OCE) were produced at three widely separated locations on the Earth. Digital computer enhancement and band ratioing techniques were applied to radiometrically corrected OCE spectral data to emphasize patterns of chlorophyll distribution and, in one shallow, clear water case, bottom topography. The chlorophyll pattern in the Yellow Sea between China and Korea was evident in a scene produced from Shuttle Orbit 24. The effects of the discharge from the Yangtze and other rivers were also observed. Two scenes from orbits 30 and 32 revealed the movement of patches of plankton in the Gulf of Cadiz. Geometrical corrections to these images permitted the existing ocean current velocities in the vicinity to be deduced. The variability in water depth over the Grand Bahama Bank was estimated by using the blue-green OCE channel. The very clear water conditions in the area caused bottom reflected sunlight to produce a sensor signal which was related inversely to the depth of the water.

Kim, H. H.↗
NASA NTRS1982

Method of measuring elastic strain distribution in specimens used for high frequency fatigue testing

A technique using a point contact piezoelectric detector has been developed which permits the displacement amplitude distributions over the entire length of high frequency fatigue specimens to be measured. Elastic strain distributions can be derived with a computer analysis that uses curve smoothing and numerical derivative methods. The equipment and techniques for measuring and processing the data are described, and displacement amplitudes, strain distributions, and magnification factors for straight rods and dumbbell-shaped specimens are obtained and shown to agree with theoretically predicted values. It is shown that the technique presented here can be used to design specimens with unusual displacement amplitudes and strain distributions.

Sirian, C. R.↗
NASA NTRS1991

Fluid management technology: Liquid slosh dynamics and control

Flight experiments were defined for the Cryogenic On-Orbit Liquid Depot Storage, Acquisition and Transfer Satellite (COLD-SAT) test bed satellite and the Shuttle middeck to help establish the influence of the gravitational environment on liquid slosh dynamics and control. Several analytical and experimental studies were also conducted to support the experiments and to help understand the anticipated results. Both FLOW-3D and NASA-VOF3D computer codes were utilized to simulate low Bond number, small amplitude sloshing, for which the motions are dominated by surface forces; it was found that neither code provided a satisfactory simulation. Thus, a new analysis of low Bond number sloshing was formulated, using an integral minimization technique that will allow the assumptions made about surface physics phenomena to be modified easily when better knowledge becomes available from flight experiments. Several examples were computed by the innovative use of a finite-element structural code. An existing spherical-pendulum analogy of nonlinear, rotary sloshing was also modified for easier use and extended to low-gravity conditions. Laboratory experiments were conducted to determine the requirements for liquid-vapor interface sensors as a method of resolving liquid surface motions in flight experiments. The feasibility of measuring the small slosh forces anticipated in flight experiments was also investigated.

Dodge, Franklin T.↗
DOE OSTI2018

Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution

The correct treatment of vibronic effects is vital for the modeling of absorption spectra of many solvated dyes. Vibronic spectra for small dyes in solution can be easily computed within the Franck-Condon approximation using an implicit solvent model. However, implicit solvent models neglect specific solute-solvent interactions on the electronic excited state. On the other hand, a straightforward way to account for solute-solvent interactions and temperature-dependent broadening is by computing vertical excitation energies obtained from an ensemble of solute-solvent conformations. Ensemble approaches usually do not account for vibronic transitions and thus often produce spectral shapes in poor agreement with experiment. Here we address these shortcomings by combining zero-temperature vibronic fine structure with vertical excitations computed for a room-temperature ensemble of solute-solvent configurations. In this combined approach, all temperature-dependent broadening is treated classically through the sampling of configurations and quantum mechanical vibronic contributions are included as a zero-temperature correction to each vertical transition. In our calculation of the vertical excitations, significant regions of the solvent environment are treated fully quantum mechanically to account for solute-solvent polarization and charge-transfer. For the Franck-Condon calculations, a small amount of frozen explicit solvent is considered in order to capture solvent effects on the vibronic shape function. We test the proposed method by comparing calculated and experimental absorption spectra of Nile red and the green fluorescent protein chromophore in polar and non-polar solvents. For systems with strong solute-solvent interactions, the combined approach yields significant improvements over the ensemble approach. For systems with weak to moderate solute-solvent interactions, both the high-energy vibronic tail and the width of the spectra are in excellent agreement with experiments

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Three-Dimensional Morphological Analysis of ALH84001 Magnetite Using Electron Tomography

We report here the crystal morphologies of MV-1 and ALH84001 magnetites as calculated by back-projection using electron tomography. In the present study, we used a 300 keV TEM with a field emission gun (Tecnai F-30 from FEI Inc.), equipped with a 2048 x 2048 pixel CCD camera from Gatan Inc. to image magnetite crystals over tilt ranges of approx. +/- 72 deg in 2 deg tilt intervals. The images were aligned for back-projection, either manually, or through the use of fiducial 5 nm Au spheres affixed to the specimen prior to microscopy. Three-dimensional (3-D) reconstructions were computed using weighted back-projection of the tilted views. The tomograms were viewed and analyzed as a series of slices 1.0 nm thick, taken parallel to the specimen-supporting grid, using the IMOD software package. The shape of each magnetite crystal was determined by defining the external contour of a given magnetite in each slice and assembling a stack of these contours in 3-D. To aid in visualization, the stacked contour array was reduced to an optimal mesh by Delaunay triangulation. The surface normal to each of the triangles in the mesh was calculated and the triangle faces colored according to the orientation of that surface normal relative to the principal crystallographic axis of magnetite. Green surfaces correspond to {111} orientations, blue surfaces to {100} orientations, and red surfaces to {110} orientations. Triangles whose surface normal did not correspond to one of the principal axes were colored gray. Within the experimental and numerical uncertainties of the deconvolution, the tomographic reconstruction of both MV-1 and ALH84001 magnetites are equivalent and correspond to a truncated hexa-octahedral morphology.

Thomas-Keprta, Kathie L.↗
DOE OSTI2021

The discrete Green's function paradigm for two-way coupled Euler–Lagrange simulation

We outline a methodology for the simulation of two-way coupled particle-laden flows. The drag force that couples fluid and particle momentum depends on the undisturbed fluid velocity at the particle location, and this latter quantity requires modelling. We demonstrate that the undisturbed fluid velocity, in the low particle Reynolds number limit, can be related exactly to the discrete Green's function of the discrete Stokes equations. In addition to hydrodynamics, the method can be extended to other physics present in particle-laden flows such as heat transfer and electromagnetism. The discrete Green's functions for the Navier–Stokes equations are obtained at low particle Reynolds number in a two-plane channel geometry. We perform verification at different Reynolds numbers for a particle settling under gravity parallel to a plane wall, for different wall-normal separations. Compared with other point-particle schemes, the Stokesian discrete Green's function approach is the most robust at low particle Reynolds number, accurate at all wall-normal separations. To account for degradation in accuracy away from the wall at finite Reynolds number, we extend the present methodology to an Oseen-like discrete Green's function. The extended discrete Green's function method is found to be accurate within 6% at all wall-normal separations for particle Reynolds numbers up to 24. Furthermore, the discrete Green's function approach is well suited to dilute systems with significant mass loading and this is highlighted by comparison against other Euler–Lagrange as well as particle-resolved simulations of gas–solid turbulent channel flow. Strong particle–turbulence coupling is observed in the form of turbulence modification and turbophoresis suppression, and these observations are placed in context of the different methods.

42 ENGINEERING↗