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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Atmospheric reentry of the in-core thermionic SP-100 reactor system

Presumed end-of-life atmospheric reentry of the GA SP-100 system was studied to assess dispersal feasibility and associated hazards. Reentry was studied by sequential use of an orbital trajectory and a heat analysis computer program. Two heating models were used. The first model assumed a thermal equilibrium condition between the stagnation point aerodynamic heating and the radiative cooling of the skin material surface. The second model allowed for infinite conductivity of the skin material. Four reentering configurations were studied representing stages of increased SP-100 breakup: (1) radiator, shield and reactor, (2) shield and reactor, (3) reactor with control drums, and (4) reactor without control drums. Each reentering configuration was started from a circular orbit at 116 km having an inertial velocity near Mach 25. The assumed failing criterion was the attainment of melting temperature of a critical system component. The reentry analysis revealed breakup of the vessel in the neighborhood of 61 km altitude and scattering of the fuel elements. Subsequent breakup of the fuel elements was not predicted. Oxidation of the niobium skin material was calculated to cause an increase in surface temperature of less than ten percent. The concept of thermite analogs for enhancing reactor reentry dispersal was assessed and found to be feasible in principle. A conservative worst-case hazards analysis was performed for radioactive and nonradioactive toxic SP-100 materials assumed to be dispersed during end-of-life reentry. The hazards associated with this phase of the SP-100 mission were calculated to be insignificant.

Stamatelatos, M. G.↗
NASA NTRS1993

The addition of algebraic turbulence modeling to program LAURA

The Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA) is modified to allow the calculation of turbulent flows. This is accomplished using the Cebeci-Smith and Baldwin-Lomax eddy-viscosity models in conjunction with the thin-layer Navier-Stokes options of the program. Turbulent calculations can be performed for both perfect-gas and equilibrium flows. However, a requirement of the models is that the flow be attached. It is seen that for slender bodies, adequate resolution of the boundary-layer gradients may require more cells in the normal direction than a laminar solution, even when grid stretching is employed. Results for axisymmetric and three-dimensional flows are presented. Comparison with experimental data and other numerical results reveal generally good agreement, except in the regions of detached flow.

Cheatwood, F. Mcneil↗
NASA NTRS1988

Bubble and drop trajectories in rotating flows

The migration of bubbles or drops in a rotating liquid-filled sphere was observed under a variety of experimental conditions, and the trajectory, final equilibrium position, and shape were compared with results of analysis. It was found that small migrating bubbles or drops were spherical and, under the quasi-steady conditions employed, behaved in a predictable manner. Large migrating bubbles were nonspherical yet still behaved predictably except when close to the sphere wall. At low rotation rates, the final equilibrium position was offset from the rotation axis and stationary in the rotating liquid relative to a laboratory (inertial) reference frame. One of the bubble migration experiments was accomplished in the near-free-fall environment provided by the NASA KC-135 flight program. At higher rotation rates and under zero gravity conditions where the rotation axis is the final equilibrium position, the shape was reasonably predictable.

Ruggles, J. S.↗
DOE OSTI2025

Equilibrium expectations for non-Gaussian fluctuations near a QCD critical point

With the highly anticipated results from the Beam Energy Scan II program at RHIC being recently revealed, an understanding of particle-number fluctuations and their significance as a potential signature of a possible QCD critical point is crucial. Early works that embarked on this endeavor sought to estimate the fluctuations due to the presence of a critical point assuming they stay in equilibrium. From these results came the proposal to focus efforts on higher, non-Gaussian, moments of the event-by-event distributions, in particular of the number of protons. These non-Gaussian moments are especially sensitive to critical fluctuations, as their magnitudes are proportional to high powers of the critical correlation length. As the equation of state provides key input for hydrodynamical simulations of heavy-ion collisions, we estimate equilibrium fluctuations from the BEST equation of state (EoS) that includes critical features from the 3D Ising Model. In particular, the proton factorial cumulants and their dependence on non-universal mapping parameters is investigated within the BEST EoS. Furthermore, the correlation length, as a central quantity for the assessment of fluctuations in the vicinity of a critical point, is also calculated in a consistent manner with the scaling equation of state. An understanding of the equilibrium estimates of proton factorial cumulants will be useful for further comparison to estimates of out-of-equilibrium fluctuations in order to determine the magnitude of the observable fluctuations to be expected in heavyion collision experiments, in which the time spent near a critical point is short.

Karthein, Jamie M. [Massachusetts Institute of Tec↗
DOE OSTI2019

Time-dependent current-density-functional theory of charge, energy and spin transport and dynamics in nanoscale systems (Final Report)

The focus of this research program is on developing density functional methods for the calculation of non-equilibrium phenomena of the transport type (finite wavelength, low frequency) and of the dynamical type (long wavelength, high frequency). One such method is the time-dependent current density functional theory, in which the evolution of the physical system is mimicked in a fictitious non-interacting system subjected to an effective one-particle potential, which we approximate as a function of the equilibrium density and non-equilibrium current density.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Initial Demonstration of New Griffin Technologies for Simulating the Running-In Phase of Pebble Bed Reactors

Griffin is a reactor multiphysics modeling application based on MOOSE (Multiphysics Object-Oriented Simulation Environment) and specifically targeting transient modeling of advanced reactors. Griffin has been used recently to model pebble-bed reactors for the Nuclear Regulatory Commission (NRC) Office of Nuclear Regulatory Research and the Advanced Reactor Technology program. This modeling work has focused thus far on the direct calculation of equilibrium cores. This report documents an initial demonstration of a new running-in simulation capability. The new running-in capability is verified using the existing direct equilibrium core calculation capability. A simplified pebble-bed reactor model is then used to demonstrate the running-in simulation capability. This demonstration shows that Griffin is able to simulate years of operation during the running-in phase efficiently with each depletion step taking only several seconds. Two new technologies are also presented in this report which have been developed in Griffin that will be essential for improved accuracy both of the direct equilibrium core computation and the new running-in simulation capability. The first technology is an online cross section generation capability specifically targeted for pebble-bed reactors. This will improve the accuracy of the depletion calculation as the cross sections are generated at the exact core status. This also avoids the difficult step of pre-generating a separate standalone multigroup cross section set. Secondly, a newly implemented discretization for discontinuous finite element method (DFEM) SN transport in cylindrical (RZ) coordinates, which can be solved efficiently using the existing SN sweep solver, is discussed and some results are shown demonstrating the usefulness of the additional accuracy transport provides over a diffusion approximation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1971

Analysis of solar ultraviolet lines

The formation of the strongest ultra-violet emission lines of Mg II, O I, C II, and C III in the solar atmosphere is studied in detail. The equations of statistical equilibrium and radiative transfer for each ion are solved using a general computer program that is capable of solving non-LTE line-formation problems for arbitrary atmospheric and atomic models. Interpreting the results in terms of the structure of the solar atmosphere, it is concluded that the HSRA atmosphere has a temperature too low by about 500 K near h = 1100 km and that a temperature plateau with T sub e approximately = 18,000 K and width close to 60 km exists in the upper chromosphere. The structure of the solar atmosphere in the range 20,000 to 100,000 K and the effects of microturbulence on the formation of lines are also investigated. Approximate analytic line-formation problems are solved, and more exact solutions are derived later. An attempt is made to make the best possible fit to the Ca II K line center-to-limb profiles with a one-component atmosphere, with an assumed source function and microturbulent velocity.

Chipman, E.↗
NASA NTRS1978

Temperature distributions of a cesium-seeded hydrogen-oxygen supersonic free jet

The hydrogen-oxygen plasma was generated at combustion chamber pressures ranging from 0.5 to 2.0 megapascals and for various seed ratios (1 to 10 percent). The plasma was observed as the atmospheric exhaust from a Mach 2 rocket test facility. Transverse profiles of the absolute integrated intensity were measured with the optically thin CsI lines (0.5664 and 0.5636 microns) at a range of axial positions downstream of the 5-cm-diameter combustor nozzle exit. Radial profiles of the emission coefficient were obtained from the measured transverse profiles of intensity by Abel inversion. Temperatures were then determined from the emission coefficients for conditions of local thermodynamic equilibrium using particle densities generated by a two-dimensional free jet computer program. Temperature results show the inherent effects of compression and expansion pressure waves characteristic of a free jet exiting from a supersonic nozzle.

Wang, S. Y.↗
NASA NTRS1984

Ice sheet margins and ice shelves

The effect of climate warming on the size of ice sheet margins in polar regions is considered. Particular attention is given to the possibility of a rapid response to warming on the order of tens to hundreds of years. It is found that the early response of the polar regions to climate warming would be an increase in the area of summer melt on the ice sheets and ice shelves. For sufficiently large warming (5-10C) the delayed effects would include the breakup of the ice shelves by an increase in ice drainage rates, particularly from the ice sheets. On the basis of published data for periodic changes in the thickness and melting rates of the marine ice sheets and fjord glaciers in Greenland and Antarctica, it is shown that the rate of retreat (or advance) of an ice sheet is primarily determined by: bedrock topography; the basal conditions of the grounded ice sheet; and the ice shelf condition downstream of the grounding line. A program of satellite and ground measurements to monitor the state of ice sheet equilibrium is recommended.

Thomas, R. H.↗
NASA NTRS1991

Analytic gradients for coupled-cluster energies that include noniterative connected triple excitations - Application to cis- and trans-HONO

An efficient formulation of the analytic energy gradient for the single and double excitation coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations is presented. The formulation has a small computational cost, and the algebraic manipulations may be applied generally to the analytic gradient of Moller-Plesset perturbation theory energies. The new formulation has been implemented in an efficient set of programs that utilize highly vectorized algorithms and has been used to investigate the equilibrium structures, harmonic vibrational frequencies, IR intensities, and energy separation of cis- and trans-HONO.

Lee, Timothy J.↗
DOE OSTI2021

The Hubble PanCET Program: Transit and Eclipse Spectroscopy of the Strongly Irradiated Giant Exoplanet WASP-76b

Ultra-hot Jupiters with equilibrium temperatures greater than 2000 K are uniquely interesting targets as they provide us crucial insights into how atmospheres behave under extreme conditions. This class of giant planets receives intense radiation from their host star and usually has strongly irradiated and highly inflated atmospheres. At such a high temperature, cloud formation is expected to be suppressed and thermal dissociation of water vapor could occur. We observed the ultra-hot Jupiter WASP-76b with seven transits and five eclipses using the Hubble Space Telescope and the Spitzer Space Telescope (Spitzer) for a comprehensive study of its atmospheric chemical and physical processes. We detected TiO and H{sub 2}O absorption in the optical and near-infrared transit spectrum. Additional absorption by a number of neutral and ionized heavy metals like Fe, Ni, Ti, and SiO help explain the short-wavelength transit spectrum. The secondary eclipse spectrum shows muted water feature but a strong CO emission feature in Spitzer’s 4.5 μm band indicating an inverted temperature pressure profile. We analyzed both the transit and eclipse spectra with a combination of self-consistent PHOENIX models and atmospheric retrieval. Both spectra were well fitted by the self-consistent PHOENIX forward atmosphere model in chemical and radiative equilibrium at solar metallicity, adding to the growing evidence that both TiO/VO and NUV heavy metals opacity are prominent NUV-optical opacity sources in the stratospheres of ultra-hot Jupiters.

47 OTHER INSTRUMENTATION↗
NASA NTRS1993

Program for an improved hypersonic temperature-sensing probe

Under a NASA Dryden-sponsored contract in the mid 1960s, temperatures of up to 2200 C were successfully measured using a fluid oscillator. The current program, although limited in scope, explores the problem areas which must be solved if this technique is to be extended to 10,000 R. The potential for measuring extremely high temperatures, using fluid oscillator techniques, stems from the fact that the measuring element is the fluid itself. The containing structure of the oscillator need not be brought to equilibrium temperature with with the fluid for temperature measurement, provided that a suitable calibration can be arranged. This program concentrated on review of high-temperature material developments since the original program was completed. Other areas of limited study included related pressure instrumentation requirements, dissociation, rarefied gas effects, and analysis of sensor time response.

Reilly, Richard J.↗
NASA NTRS1980

Gravity and magnetic anomaly modeling and correlation using the SPHERE program and Magsat data

The spherical Earth inversion, modeling, and contouring software were tested and modified for processing data in the Southern Hemisphere. Preliminary geologic/tectonic maps and selected cross sections for South and Central America and the Caribbean region are being compiled and as well as gravity and magnetic models for the major geological features of the area. A preliminary gravity model of the Andeas Beniff Zone was constructed so that the density columns east and west of the subducted plates are in approximate isostatic equilibrium. The magnetic anomaly for the corresponding magnetic model of the zone is being computed with the SPHERE program. A test tape containing global magnetic measurements was converted to a tape compatible with Purdue's CDC system. NOO data were screened for periods of high diurnal activity and reduced to anomaly form using the IGS-75 model. Magnetic intensity anomaly profiles were plotted on the conterminous U.S. map using the track lines as the anomaly base level. The transcontinental magnetic high seen in POGO and MAGSAT data is also represented in the NOO data.

Braile, L. W.↗
DOE OSTI2021

SPEARS: A Database-Invariant Spectral modeling API

The Spectral Physics Environment for Advanced Remote Sensing (SPEARS) application programming interface (API) is a Python-based, line-by-line, local thermal equilibrium (LTE) spectral modeling code which is optimized for simultaneously synthesizing optical spectra from any combination of fundamental spectroscopic databases. In this article, we contribute two novel spectral modeling techniques to the scientific literature. First we describe how SPEARS integrates a physics-based collisional model for calculating pressure broadening in the absence of available broadening coefficients. With this collisional model implementation, a generalized approach to fundamental spectroscopic databases can be achieved across multiple databases. We also detail our adaptive grid mesh algorithm developed to make the code scalable for simulating large spectral bandwidths at high spectral fidelity using intuitive grid parameters. Here, we present comparisons to other modeling tools, experiments, and provide a discussion on the SPEARS user interface.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Platinum Graphene Catalytic Condenser for Millisecond Programmable Metal Surfaces

Accelerating catalytic chemistry and tuning surface reactions require precise control of the electron density of metal atoms. In this work, nanoclusters of platinum were supported on a graphene sheet within a catalytic condenser device that facilitated electron or hole accumulation in the platinum active sites with negative or positive applied potential, respectively. The catalytic condenser was fabricated by depositing on top of a p-type Si wafer an amorphous HfO 2 dielectric (70 nm), on which was placed the active layer of 2–4 nm platinum nanoclusters on graphene. A potential of ±6 V applied to the Pt/graphene layer relative to the silicon electrode moved electrons into or out of the active sites of Pt, attaining charge densities more than 1% of an electron or hole per surface Pt atom. At a level of charge condensation of ±10% of an electron per surface atom, the binding energy of carbon monoxide to a Pt(111) surface was computed via density functional theory to change 24 kJ mol –1 (0.25 eV), which was consistent with the range of carbon monoxide binding energies determined from temperature-programmed desorption (ΔBE CO of 20 ± 1 kJ mol –1 or 0.19 eV) and equilibrium surface coverage measurements (ΔBE CO of 14 ± 1 kJ mol –1 or 0.14 eV). Impedance spectroscopy indicated that Pt/graphene condensers with potentials oscillating at 3000 Hz exhibited negligible loss in capacitance and charge accumulation, enabling programmable surface conditions at amplitudes and frequencies necessary to achieve catalytic resonance.

Inorganic carbon compounds↗
DOE OSTI2023

Crystal structure of dihydrofolate reductase from the filarial nematode W. bancrofti in complex with NADPH and folate

Lymphatic filariasis is a debilitating illness with an estimated 50 million cases as of 2018. The majority of cases are caused by the parasitic worm W. bancrofti and additional cases by the worms B. malayi and B. timori. Dihydrofolate reductase (DHFR) is an established target in the treatment of cancer, bacterial, and protozoal infections and may be a potential target for drugs targeting parasitic worm infections, including filariasis. Recent studies have shown that known antifolate compounds, including methotrexate, inhibit the activity of W. bancrofti DHFR (WbDHFR). However, the absence of structural information for filarial DHFRs has limited the study of more in-depth structure-function relationships. We report the structure of WbDHFR complexed with NADPH and folate using X-ray diffraction data measured to 2.47 Å resolution. The structure of WbDHFR reveals the usual DHFR fold and is currently only the second nematode DHFR structure in the Protein Data Bank. The equilibrium dissociation constants for NADPH (90 ± 29 nM) and folate (23 ± 4 nM) were determined by equilibrium titrations. The interactions of known antifolates with WbDHFR were analyzed using molecular docking programs and molecular dynamics simulations. Antifolates with a hydrophobic core and extended linker formed favorable interactions with WbDHFR. These combined data should now facilitate the rational design of filarial DHFR inhibitors, which in turn can be used to determine whether DHFR is a viable drug target for filariasis and whether existing antifolates may be repurposed for its treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Bioinspired Design of Dissipative Self-Assembly of Active Materials (Final Technical Report)

The major objective of this DOE-funded research program was to establish general, experimentally validated design principles for dissipative, out-of-equilibrium self-assembly of synthetic active materials. In living systems, structures such as actin filaments and microtubules are maintained far from thermodynamic equilibrium through continuous energy consumption. This persistent nonequilibrium operation enables functions including adaptability, self-healing, directed motion, and force generation—properties that are largely absent in traditional equilibrium soft materials.

36 MATERIALS SCIENCE↗
NASA NTRS1969

Computer programs for axial flow compressor design

Four computer programs examine effects of design parameters and indicate areas for research of multistage axial flow compressors. The programs provide information on velocity diagrams and stage-by-stage performance calculation, radial equilibrium of flow, radial distribution of total pressure, and off-design performance calculation.

Carmody, R. H.↗