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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Sensing at the Nanoscale Using Nitrogen-Vacancy Centers in Diamond: A Model for a Quantum Pressure Sensor

The sensing of stress under harsh environmental conditions with high resolution has critical importance for a range of applications including earth’s subsurface scanning, geological CO2 storage monitoring, and mineral and resource recovery. Using a first-principles density functional theory (DFT) approach combined with the theoretical modelling of the low-energy Hamiltonian, here, we investigate a novel approach to detect unprecedented levels of pressure by taking advantage of the solid-state electronic spin of nitrogen-vacancy (NV) centers in diamond. We computationally explore the effect of strain on the defect band edges and band gaps by varying the lattice parameters of a diamond supercell hosting a single NV center. A low-energy Hamiltonian is developed that includes the effect of stress on the energy level of a ±1 spin manifold at the ground state. By quantifying the energy level shift and split, we predict pressure sensing of up to 0.3 MPa/Hz using the experimentally measured spin dephasing time. We show the superiority of the quantum sensing approach over traditional optical sensing techniques by discussing our results from DFT and theoretical modelling for the frequency shift per unit pressure. Importantly, we propose a quantum manometer that could be useful to measure earth’s subsurface vibrations as well as for pressure detection and monitoring in high-temperature superconductivity studies and in material sciences. Our results open avenues for the development of a sensing technology with high sensitivity and resolution under extreme pressure limits that potentially has a wider applicability than the existing pressure sensing technologies.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Protection coordination of the Kennedy Space Center electric distribution network

A computer technique is described for visualizing the coordination and protection of any existing system of devices and settings by plotting the tripping characteristics of the involved devices on a common basis. The program determines the optimum settings of a given set of protective devices and configuration in the sense of the best expected coordinated operation of these devices. Subroutines are given for simulating time versus current characteristics of the different relays, circuit breakers, and fuses in the system; coordination index computation; protection checks; plotting; and coordination optimation.

Source record↗
NASA NTRS1989

Computer Simulation of Aircraft Aerodynamics

The role of Ames Research Center in conducting basic aerodynamics research through computer simulations is described. The computer facilities, including supercomputers and peripheral equipment that represent the state of the art, are described. The methodology of computational fluid dynamics is explained briefly. Fundamental studies of turbulence and transition are being pursued to understand these phenomena and to develop models that can be used in the solution of the Reynolds-averaged Navier-Stokes equations. Four applications of computer simulations for aerodynamics problems are described: subsonic flow around a fuselage at high angle of attack, subsonic flow through a turbine stator-rotor stage, transonic flow around a flexible swept wing, and transonic flow around a wing-body configuration that includes an inlet and a tail.

Inouye, Mamoru↗
NASA NTRS2006

Code for Multiblock CFD and Heat-Transfer Computations

The NASA Glenn Research Center General Multi-Block Navier-Stokes Convective Heat Transfer Code, Glenn-HT, has been used extensively to predict heat transfer and fluid flow for a variety of steady gas turbine engine problems. Recently, the Glenn-HT code has been completely rewritten in Fortran 90/95, a more object-oriented language that allows programmers to create code that is more modular and makes more efficient use of data structures. The new implementation takes full advantage of the capabilities of the Fortran 90/95 programming language. As a result, the Glenn-HT code now provides dynamic memory allocation, modular design, and unsteady flow capability. This allows for the heat-transfer analysis of a full turbine stage. The code has been demonstrated for an unsteady inflow condition, and gridding efforts have been initiated for a full turbine stage unsteady calculation. This analysis will be the first to simultaneously include the effects of rotation, blade interaction, film cooling, and tip clearance with recessed tip on turbine heat transfer and cooling performance. Future plans call for the application of the new Glenn-HT code to a range of gas turbine engine problems of current interest to the heat-transfer community. The new unsteady flow capability will allow researchers to predict the effect of unsteady flow phenomena upon the convective heat transfer of turbine blades and vanes. Work will also continue on the development of conjugate heat-transfer capability in the code, where simultaneous solution of convective and conductive heat-transfer domains is accomplished. Finally, advanced turbulence and fluid flow models and automatic gridding techniques are being developed that will be applied to the Glenn-HT code and solution process.

Fabian, John C.↗
NASA NTRS1992

Annual report

The overall goal of the Tuskegee University Center for Food Production, Processing and Waste Management in Controlled Ecological Life Support Systems (CELSS) is to provide tested information and technologies applicable to bioregenerative food production systems for life support on long-term manned space mission. Specifically, the center is developing information, computer simulated models, methodologies and technology for sweetpotato and peanut biomass production and processing, inclusive of waste management and recycling of these crops selected by NASA for CELSS. The Center is organized into interdisciplinary teams of life scientists and engineers that work together on specific objectives and long-term goals. Integral to the goal of the Center is the development of both basic and applied research information and the training of young scientists and engineers, especially underrepresented minorities that will increase the professional pool in these disciplines and contribute to the advancement of space sciences and exploration.

Source record↗
NASA NTRS1997

Activities and Accomplishments of ICAM

A brief historical background on establishing the Institute for Computational and Applied Mechanics (ICAM) is presented and basic goals and objectives are discussed. It is emphasized that the goal of the ICAM has been to develop and maintain a self-sustaining center of excellence in computational methods at Old Dominion University (ODU). Information is provided on funding sources and budget disposition, recent activities and accomplishments, list of graduate students supported on the program, and number of students who received graduate degrees (M.S. as well as Ph.D.). Information is also provided on research coordination with various scientists and engineers, and on different reports specifically written for ICAM. ICAM has been supported, in part, by NASA Langley Research Center through Grant NAG-1-363. This report constitutes the final report for ICAM for the period ending December 1996. The grant has been monitored by the University Affairs Officers at NASA Langley.

Tiwari, S. N.↗
DOE OSTI2026

Small-molecule modulation of β-arrestins

β-Arrestins are multifunctional regulators of G-protein-coupled receptor (GPCR) signalling and orchestrate diverse downstream signalling events and physiological responses across the GPCR superfamily. Although GPCR pharmacology has advanced to target orthosteric and allosteric sites, as well as G proteins and GPCR kinases, direct chemical tools to modulate β-arrestin activities have remained conspicuously absent. Here we report the identification of small-molecule inhibitors that selectively target β-arrestins and delineate their mechanism of action through integrated pharmacological, biochemical, biophysical and structural analyses. These inhibitors disrupt β-arrestin engagement with agonist-activated GPCRs, impairing desensitization, internalization and β-arrestin-dependent physiological functions while sparing G protein–receptor coupling. Cryo-electron microscopy, molecular dynamics simulations and structure-guided mutagenesis reveal that one modulator, Cmpd-5, engages a pocket within the central crest of β-arrestin1 formed by the middle, C and lariat loops, a critical receptor-binding interface, stabilizing a distinct conformation that is incompatible with full β-arrestin–receptor engagement. Together, these findings establish a mechanistic framework for β-arrestin modulation, reveal a novel allosteric site for structure-based drug design, and open new avenues for transducer-targeted, pathway-specific GPCR therapeutic agents.

Kahsai, Alem W. [Duke University, Durham, NC (Unit↗
NASA NTRS1977

Optimum space shuttle launch times relative to natural environment

Three sets of meteorological criteria were analyzed to determine the probabilities of favorable launch and landing conditions. Probabilities were computed for every 3 hours on a yearly basis using 14 years of weather data. These temporal probability distributions, applicable to the three sets of weather criteria encompassing benign, moderate and severe weather conditions, were computed for both Kennedy Space Center (KSC) and Edwards Air Force Base. In addition, conditional probabilities were computed for unfavorable weather conditions occurring after a delay which may or may not be due to weather conditions. Also, for KSC, the probabilities of favorable landing conditions at various times after favorable launch conditions have prevailed have been computed so that mission probabilities may be more accurately computed for those time periods when persistence strongly correlates weather conditions. Moreover, the probabilities and conditional probabilities of the occurrence of both favorable and unfavorable events for each individual criterion were computed to indicate the significance of each weather element to the overall result.

King, R. L.↗
DOE OSTI2023

Evaluation of 6-OxP-CD, an Oxime-based cyclodextrin as a viable medical countermeasure against nerve agent poisoning: Experimental and molecular dynamic simulation studies on its inclusion complexes with cyclosarin, soman and VX

The ability of the cyclodextrin-oxime construct 6-OxP-CD to bind and degrade the nerve agents Cyclosarin (GF), Soman (GD) and S -[2-[Di(propan-2-yl)amino]ethyl] O -ethyl methylphosphonothioate (VX) has been studied using 31 P-nuclear magnetic resonance (NMR) under physiological conditions. While 6-OxP-CD was found to degrade GF instantaneously under these conditions, it was found to form an inclusion complex with GD and significantly improve its degradation (t 1/2 ~ 2 hrs) relative over background (t 1/2 ~ 22 hrs). Consequently, effective formation of the 6-OxP-CD:GD inclusion complex results in the immediate neutralization of GD and thus preventing it from inhibiting its biological target. In contrast, NMR experiments did not find evidence for an inclusion complex between 6-OxP-CD and VX, and the agent’s degradation profile was identical to that of background degradation (t 1/2 ~ 24 hrs). As a complement to this experimental work, molecular dynamics (MD) simulations coupled with Molecular Mechanics-Generalized Born Surface Area (MM-GBSA) calculations have been applied to the study of inclusion complexes between 6-OxP-CD and the three nerve agents. These studies provide data that informs the understanding of the different degradative interactions exhibited by 6-OxP-CD with each nerve agent as it is introduced in the CD cavity in two different orientations (up and down). For its complex with GF, it was found that the oxime in 6-OxP-CD lies in very close proximity (P GF …O Oxime ~ 4–5 Å) to the phosphorus center of GF in the ‘down GF ’ orientation for most of the simulation accurately describing the ability of 6-OxP-CD to degrade this nerve agent rapidly and efficiently. Further computational studies involving the center of masses (COMs) for both components (GF and 6-OxP-CD) also provided some insight on the nature of this inclusion complex. Distances between the COMs (ΔCOM) lie closer in space in the ‘down GF ’ orientation than in the ‘up GF ’ orientation; a correlation that seems to hold true not only for GF but also for its congener, GD. In the case of GD, calculations for the ‘down GD ’ orientation showed that the oxime functional group in 6-OxP-CD although lying in close proximity (P GD …O Oxime ~ 4–5 Å) to the phosphorus center of the nerve agent for most of the simulation, adopts another stable conformation that increase this distance to ~ 12–14 Å, thus explaining the ability of 6-OxP-CD to bind and degrade GD but with less efficiency as observed experimentally (t 1/2 ~ 4 hr. vs. immediate). Lastly, studies on the VX:6-OxP-CD system demonstrated that VX does not form a stable inclusion complex with the oxime-bearing cyclodextrin and as such does not interact in a way that is conducive to an accelerated degradation scenario. Collectively, these studies serve as a basic platform from which the development of new cyclodextrin scaffolds based on 6-OxP-CD can be designed in the development of medical countermeasures against these highly toxic chemical warfare agents.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Higgs Inflation and the Electroweak Gauge Sector

Abstract We introduce a method that allows the Higgs to be the inflaton. The Higgs is considered as a pseudo‐Nambu‐Goldstone (pNG) boson of a global coset symmetry , which is spontaneously breaks at an energy scale . A suitable Chern−Simons (CS) interaction is given to it, with representing the dimensionless CS coupling strength and an decay constant. As a result, slow‐roll inflation occurs via ‐induced friction down a steep sinusoidal potential. To obey electroweak symmetry, the lowest‐order CS interaction is required to be quadratic in the Higgs, with the coupling strength . Higher‐order interaction terms keep the full Lagrangian nearly invariant under the approximate pNG shift symmetry. Employing the simplest symmetry coset , ‐folds of inflation occur when . Successfully explaining inflation necessitates small values of the decay constant, ; this in turn requires large , which is ruled out by electric dipole measurements. Although the electroweak hierarchy problem while achieving successful inflation, the real benefit is found in providing a different path to identifying the Higgs as the inflaton, outside the standard modified‐gravity framework.

Alexander, Stephon [Brown Center for Theoretical P↗
NASA NTRS1997

Development of a Pamphlet Targeting Computer Workstation Ergonomics

With the increased use of computers throughout Goddard Space Flight Center, the Industrial Hygiene Office (IHO) has observed a growing trend in the number of health complaints attributed to poor computer workstation setup. A majority of the complaints has centered around musculoskeletal symptoms, including numbness, pain, and tingling in the upper extremities, shoulders, and neck. Eye strain and headaches have also been reported. In some cases, these symptoms can lead to chronic conditions such as repetitive strain injuries (RSI's). In an effort to prevent or minimize the frequency of these symptoms among the GSFC population, the IHO conducts individual ergonomic workstation evaluations and ergonomics training classes upon request. Because of the extensive number of computer workstations at GSFC, and the limited amount of manpower which the Industrial Hygiene staff could reasonably allocate to conduct workstation evaluations and employee training, a pamphlet was developed with a two-fold purpose: (1) to educate the GSFC population about the importance of ergonomically-correct computer workstation setup and the potential effects of a poorly configured workstation; and (2) to enable employees to perform a general assessment of their own workstations and make any necessary modifications for proper setup.

Faraci, Jennifer S.↗
DOE OSTI2026

NREL Overview of Grid-Tied Power Electronics

This presentation focuses on the power electronics related research efforts carried out by researchers at the Power Systems Engineering Center at NREL.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1994

A hydrogen-oxygen rocket engine coolant passage design program (RECOP) for fluid-cooled thrust chambers and nozzles

The design of coolant passages in regeneratively cooled thrust chambers is critical to the operation and safety of a rocket engine system. Designing a coolant passage is a complex thermal and hydraulic problem requiring an accurate understanding of the heat transfer between the combustion gas and the coolant. Every major rocket engine company has invested in the development of thrust chamber computer design and analysis tools; two examples are Rocketdyne's REGEN code and Aerojet's ELES program. In an effort to augment current design capabilities for government and industry, the NASA Lewis Research Center is developing a computer model to design coolant passages for advanced regeneratively cooled thrust chambers. The RECOP code incorporates state-of-the-art correlations, numerical techniques and design methods, certainly minimum requirements for generating optimum designs of future space chemical engines. A preliminary version of the RECOP model was recently completed and code validation work is in progress. This paper introduces major features of RECOP and compares the analysis to design points for the first test case engine; the Pratt & Whitney RL10A-3-3A thrust chamber.

Tomsik, Thomas M.↗
DOE OSTI2020

HPC at NREL: FY 2019

Brochure featuring Fiscal Year 2019 accomplishments at the NREL High-Performance Computing User Facility and Data Center at the Energy Systems Integration Facility, including information on the facility's HPC systems as well as highlights from several modeling and simulation projects across the spectrum of energy efficiency and renewable energy technologies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Quantum many-body calculations using body-centered cubic lattices

It is often computationally advantageous to model space as a discrete set of points forming a lattice grid. This technique is particularly useful for computationally difficult problems such as quantum many-body systems. For reasons of simplicity and familiarity, nearly all quantum many-body calculations have been performed on simple cubic lattices. Since the removal of lattice artifacts is often an important concern, it would be useful to perform calculations using more than one lattice geometry. In this paper we show how to perform quantum many-body calculations using auxiliary-field Monte Carlo simulations on a three-dimensional body-centered cubic (BCC) lattice. As a benchmark test we compute the ground state energy of 33 spin-up and 33 spin-down neutrons in the unitary limit, which is an idealized limit where the interaction range is zero and scattering length is infinite. As a fraction of the free Fermi gas energy E FG , we find that the ground state energy is E 0 /E FG =0.369(2),0.371(2), using two different definitions of the finite-system energy ratio. This is in excellent agreement with recent results obtained on a cubic lattice [He et al., Phys. Rev. A 101, 063615 (2020)]. We find that the computational effort and performance on a BCC lattice is approximately the same as that for a cubic lattice with the same number of lattice points. We discuss how the lattice simulations with different geometries can be used to constrain the size of lattice artifacts in simulations of continuum quantum many-body systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1972

A parametric study of planform and aeroelastic effects on aerodynamic center, alpha- and q- stability derivatives. Appendix A: A computer program for calculating alpha- and q- stability derivatives and induced drag for thin elastic aeroplanes at subsonic and supersonic speeds

The computer program used to determine the rigid and elastic stability derivatives presented in the summary report is listed in this appendix along with instructions for its use, sample input data and answers. This program represents the airplane at subsonic and supersonic speeds as (a) thin surface(s) (without dihedral) composed of discrete panels of constant pressure according to the method of Woodward for the aerodynamic effects and slender beam(s) for the structural effects. Given a set of input data, the computer program calculates an aerodynamic influence coefficient matrix and a structural influence coefficient matrix.

Roskam, J.↗
NASA NTRS1982

Dipole-field sums and Lorentz factors for orthorhombic lattices, and implications for polarizable molecules

A method for computing the Lorentz tensor components in single crystals via rapidly convergent sums of Bessels functions is developed using the relationship between dipole-field sums and the tensor components. The Lorentz factors for simple, body-centered, and base-centered orthorhombic lattices are computed using this method, and the derivative Lorentz factors for simple orthorhombic lattices are also determined. Both the Lorentz factors and their derivatives are shown to be very sensitive to a lattice structure. The equivalent of the Clausius-Mossotti relation for general orthorhombic lattices is derived using the Lorentz-factor formalism, and the permanent molecular dipole moment is related to crystal polarization for the case of a ferroelectric of polarizable point dipoles. It is concluded that the polarization enhancement due to self-polarization familiar from classical theory may actually be a reduction in consequences of negative Lorentz factors in one or two lattice directions for noncubic crystals.

Purvis, C. K.↗