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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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NbTi_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys niobium-titanium (Nb-Ti). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP), https://github.com/ORNL/ScalableWorkflow_VASP_Calculations. Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Nb and Ti. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗

Shelf Life of PMR Polyimide Monomer Solutions and Prepregs Extended

PMR (Polymerization of Monomeric Reactants) technology was developed in the mid-1970's at the NASA Glenn Research Center at Lewis Field for fabricating high-temperature stable polyimide composites. This technology allowed a solution of polyimide monomers or prepreg (a fiber, such as glass or graphite, impregnated with PMR polyimide monomers) to be thermally cured without the release of volatiles that cause the formation of voids unlike the non-PMR technology used for polyimide condensation type resins. The initial PMR resin introduced as PMR 15 is still commercially available and is used worldwide by aerospace industries as the state-of-the-art resin for high-temperature polyimide composite applications. PMR 15 offers easy composite processing, excellent composite mechanical property retention, a long lifetime at use temperatures of 500 to 550 F, and relatively low cost. Later, second-generation PMR resin versions, such as PMR II 50 and VCAP 75, offer improvements in the upper-use temperature (to 700 F) and in the useful life at temperature without major compromises in processing and property retention but with significant increases in resin cost. Newer versions of nontoxic (non-methylene dianiline) PMR resins, such as BAX PMR 15, offer similar advantages as originally found for PMR 15 but also with significant increases in resin cost. Thus, the current scope of the entire PMR technology available meets a wide range of aeronautical requirements for polymer composite applications.

Alston, William B.↗

DORIS weekly solutions: status report and open problems

Since the official start of the International DORIS Service (IDS) in 2003, several Analysis Centers have submitted time series of station coordinates in SINEX format. We discuss here the different DORIS weekly solutions available for ITRF 2004 and for the IERS Combinationa Campaign Project.

DORIS↗

Reference Solutions for Benchmark Turbulent Flows in Three Dimensions

A grid convergence study is performed to establish benchmark solutions for turbulent flows in three dimensions (3D) in support of turbulence-model verification campaign at the Turbulence Modeling Resource (TMR) website. The three benchmark cases are subsonic flows around a 3D bump and a hemisphere-cylinder configuration and a supersonic internal flow through a square duct. Reference solutions are computed for Reynolds Averaged Navier Stokes equations with the Spalart-Allmaras turbulence model using a linear eddy-viscosity model for the external flows and a nonlinear eddy-viscosity model based on a quadratic constitutive relation for the internal flow. The study involves three widely-used practical computational fluid dynamics codes developed and supported at NASA Langley Research Center: FUN3D, USM3D, and CFL3D. Reference steady-state solutions computed with these three codes on families of consistently refined grids are presented. Grid-to-grid and code-to-code variations are described in detail.

Diskin, Boris↗

Numerical simulations of three-dimensional laminar flow over a backward facing step; flow near side walls

This paper reports the results of numerical simulations of steady, laminar flow over a backward-facing step. The governing equations used in the simulations are the full 'compressible' Navier-Stokes equations, solutions to which were computed by using a cell-centered, finite volume discretization. The convection terms of the governing equations were discretized by using the Advection Upwind Splitting Method (AUSM), whereas the diffusion terms were discretized using central differencing formulas. The validity and accuracy of the numerical solutions were verified by comparing the results to existing experimental data for flow at identical Reynolds numbers in the same back step geometry. The paper focuses attention on the details of the flow field near the side wall of the geometry.

Steinthorsson, Erlendur↗

Ready for the Frontier: Preparing Applications for the World’s First Exascale System

Frontier, a supercomputer at the Oak Ridge Leadership Computing Facility (OLCF), debuted atop the Top500 list of the world’s most powerful supercomputers in June 2022 as the very first computer to produce exascale performance. Making sure scientific applications are optimized on this architecture is the critical link necessary to translate the newly available computational power into scientific insight and solutions. To that goal, the OLCF developed the Center for Accelerated Application Readiness (CAAR) program to ensure that a suite of highly optimized applications is ready for scientific runs at the onset of production operations for Frontier. This paper describes our experience in porting and optimizing such suite of applications in the OLCF’s CAAR program.

Budiardja, Reuben↗

An Assessment of the Usability of Machine Learning Based Tools for the Security Operations Center

Gartner, a large research and advisory company, anticipates that by 2024 80% of security operation centers (SOCs) will use machine learning (ML) based solutions to enhance their operations. 1 1 https://www.ciodive.com/news/how-data-science-tools-can-lighten-the-load-for-cybersecurity-teams/572209/ In light of such widespread adoption, it is vital for the research community to identify and address usability concerns. This work presents the results of the first in situ usability assessment of ML-based tools. With the support of the US Navy, we leveraged the national cyber range-a large, air-gapped cyber testbed equipped with state-of-the-art network and user emulation capabilities-to study six US Naval SOC analysts' usage of two tools. Our analysis identified several serious usability issues, including multiple violations of established usability heuristics for user interface design. We also discovered that analysts lacked a clear mental model of how these tools generate scores, resulting in mistrust a and/or misuse of the tools themselves. Surprisingly, we found no correlation between analysts' level of education or years of experience and their performance with either tool, suggesting that other factors such as prior background knowledge or personality play a significant role in ML-based tool usage. Our findings demonstrate that ML-based security tool vendors must put a renewed focus on working with analysts, both experienced and inexperienced, to ensure that their systems are usable and useful in real-world security operations settings.

Oesch, T↗

Argonne-Northwestern Solar Energy Research Center (08/01/2009-07/31/2018) and renamed Center for Light Energy Activated Redox Processes (LEAP) (Final Report)

In 2009-2014 the ANSER Center focused on understanding how molecules, materials, and systems can use sunlight to generate charges that drive catalysts for solar fuels formation and directly power photovoltaic cells. We addressed a common set of fundamental questions that must be answered in both contexts to successfully utilize sunlight as a renewable energy source for fuels and electricity. By attacking the common questions intrinsic to solar fuels and electricity in the same research center, ANSER provided opportunities for cross-cutting solutions not possible by addressing only fuels or electricity alone.

14 SOLAR ENERGY↗

A computer program for calculating the perfect gas inviscid flow field about blunt axisymmetric bodies at an angle of attack of 0 deg

A method for the rapid calculation of the inviscid shock layer about blunt axisymmetric bodies at an angle of attack of 0 deg has been developed. The procedure is of an inverse nature, that is, a shock wave is assumed and calculations proceed along rays normal to the shock. The solution is iterated until the given body is computed. The flow field solution procedure is programed at the Langley Research Center for the Control Data 6600 computer. The geometries specified in the program are sphores, ellipsoids, paraboloids, and hyperboloids which may conical afterbodies. The normal momentum equation is replaced with an approximate algebraic expression. This simplification significantly reduces machine computation time. Comparisons of the present results with shock shapes and surface pressure distributions obtained by the more exact methods indicate that the program provides reasonably accurate results for smooth bodies in axisymmetric flow. However, further research is required to establish the proper approximate form of the normal momentum equation for the two-dimensional case.

Zoby, E. V.↗

Estimation of mean sea surfaces in the north Atlantic, the Pacific and the Indian Ocean using GEOS-3 altimeter data

The mean surfaces of several regions of the world's oceans were estimated using GEOS-3 altimeter data. The northwest Atlantic, the northeast Pacific off the coast of California, the Indian Ocean, the southwest Pacific, and the Phillipine Sea are included. These surfaces have been oriented with respect to a common earth center-of-mass system by constraining the separate solutions to conform to precisely determined laser reference control orbits. The same reference orbits were used for all regions assuring continuity of the separate solutions. Radial accuracies of the control orbits were in the order of one meter. The altimeter measured sea surface height crossover differences were minimized by the adjustment of tilt and bias parameters for each pass with the exception of laser reference control passes. The tilt and bias adjustments removed long wavelength errors which were primarily due to orbit error. Ocean tides were evaluated. The resolution of the estimated sea surfaces varied from 0.25 degrees off the east coast of the United States to about 2 degrees in part of the Indian Ocean near Australia. The rms crossover discrepancy after adjustment varied from 30 cm to 70 cm depending upon geographic location. Comparisons of the altimeter derived mean sea surface in the North Atlantic with the 5 feet x 5 feet GEM-8 detailed gravimetric geoid indicated a relative consistency of better than a meter.

Marsh, J. G.↗

Thermodynamic modeling of the no-vent fill methodology for transferring cryogens in low gravity

The filling of tanks with cryogens in the low-gravity environment of space poses many technical challenges. Chief among these is the inability to vent only vapor from the tank as the filling proceeds. As a potential solution to this problem, the NASA Lewis Research Center is researching a technique known as No-Vent Fill. This technology potentially has broad application. The focus is the fueling of space based Orbital Transfer Vehicles. The fundamental thermodynamics of the No-Vent Fill process to develop an analytical model of No-Vent Fill is described. The model is then used to conduct a parametric investigation of the key parameters: initial tank wall temperature, liquid-vapor interface heat transfer rate, liquid inflow rate, and inflowing liquid temperatures. Liquid inflowing temperature and the liquid-vapor interface heat transfer rate seem to be the most significant since they influence the entire fill process. The initial tank wall temperature must be sufficiently low to prevent a rapid pressure rise during the initial liquid flashing stage, but then becomes less significant.

Chato, David J.↗

Thermodynamic modeling of the no-vent fill methodology for transferring cryogens in low gravity

The filling of tanks with cryogens in the low-gravity environment of space poses many technical challenges. Chief among these is the inability to vent only vapor from the tank as the filling proceeds. As a potential solution to this problem, the NASA Lewis Research Center is researching a technique known as No-Vent Fill. This technology potentially has broad application. The focus is the fueling of space based Orbital Transfer Vehicles. The fundamental thermodynamics of the No-Vent Fill is described. The model is then used to conduct a parametric investigation of the key parameters: initial tank wall temperature, liquid-vapor interface heat transfer rate, liquid inflow rate, and inflowing liquid temperatures. Liquid inflowing temperature and the liquid-vapor interface heat transfer rate seem to be the most significant since they influence the entire fill process. The initial tank wall temperature must be sufficiently low to prevent a rapid pressure rise during the initial liquid flashing state, but then becomes less significant.

Chato, David J.↗

Autonomous satellite command and control: A comparison with other military systems

Existing satellite concepts of operation depend on readily available experts and are extremely manpower intensive. Areas of expertise required include mission planning, mission data interpretation, telemetry monitoring, and anomaly resolution. The concepts of operation have envolved to their current state in part because space systems have tended to be treated more as research and development assets rather than as operational assets. These methods of satellite command and control will be inadequate in the future because of the availability, survivability, and capability of human experts. Because space systems have extremely high reliability and limited access, they offer challenges not found in other military systems. Thus, automation techniques used elsewhere are not necessarily applicable to space systems. A program to make satellites much more autonomous has been developed, using a variety of advanced software techniques. The problem the program is addressing, some possible solutions, the goals of the Rome Air Development Center (RADC) program, the rationale as to why the goals are reasonable, and the current program status are discussed. Also presented are some of the concepts used in the program and how they differ from more traditional approaches.

Kruchten, Robert J.↗

Surface-Shading Program

Surface Shading computer program, SURF, developed in support of work of Computational Fluid Dynamics (CFD). Part of CFD graphics software. Accepts input in form of grid and solution files otherwise normally fed to Ames Research Center's version of PLOT3D software from "flow solver" programs. Interactively creates wire-frame, shaded, and function-map parts viewed and then transferred to Ames Research Graphic (ARCGRAPH) standard files, animated with GAS (COSMIC Program ARC-12379). Written in C programming language and requires Silicon Graphics "include" files (e.g., stdio.h, gl.h).

Plessel, Todd↗

Effects of polar ice on the earth's rotation and gravitational potential

The contributions of the Antarctic and the Greenland ice sheets to the earth's gravity, displacement, and rotation are estimated using gridded values of the net surface accumulation rates in the ice sheets of these two regions. It is found that the contributions to the low-order zonal harmonic coefficients of the earth's gravitational potential from Antarctica are between 2 and 10 times larger than the uncertainties of the zonal harmonics derived from satellite solutions; for Greenland, the coefficients are within an order of magnitude of the uncertainties of the satellite solutions. Polar contributions to the displacement of the center of mass of the solid earth, as seen in the frame of reference of satellites tracked from the earth surface, range from less than 1 mm to 1.5 cm over a 60-yr period.

Trupin, Andrew S.↗

Flush Airdata Sensing (FADS) System Calibration Procedures and Results for Blunt Forebodies

Blunt-forebody pressure data are used to study the behavior of the NASA Dryden Flight Research Center flush airdata sensing (FADS) pressure model and solution algorithm. The model relates surface pressure measurements to the airdata state. Spliced from the potential flow solution for uniform flow over a sphere and the modified Newtonian impact theory, the model was shown to apply to a wide range of blunt-forebody shapes and Mach numbers. Calibrations of a sphere, spherical cones, a Rankine half body, and the F-14, F/A-18, X-33, X-34, and X-38 configurations are shown. The three calibration parameters are well-behaved from Mach 0.25 to Mach 5.0, an angle-of-attack range extending to greater than 30 deg, and an angle-of-sideslip range extending to greater than 15 deg. Contrary to the sharp calibration changes found on traditional pitot-static systems at transonic speeds, the FADS calibrations are smooth, monotonic functions of Mach number and effective angles of attack and sideslip. Because the FADS calibration is sensitive to pressure port location, detailed measurements of the actual pressure port locations on the flight vehicle are required and the wind-tunnel calibration model should have pressure ports in similar locations. The procedure for calibrating a FADS system is outlined.

Cobleigh, Brent R.↗

Flush Airdata Sensing (FADS) System Calibration Procedures and Results for Blunt Forebodies

Blunt-forebody pressure data are used to study the behavior of the NASA Dryden Flight Research Center flush airdata sensing (FADS) pressure model and solution algorithm. The model relates surface pressure measurements to the airdata state. Spliced from the potential flow solution for uniform flow over a sphere and the modified Newtonian impact theory, the model was shown to apply to a wide range of blunt-forebody shapes and Mach numbers. Calibrations of a sphere, spherical cones, a Rankine half body, and the F-14, F/A-18, X-33, X-34, and X-38 configurations are shown. The three calibration parameters are well-behaved from Mach 0.25 to Mach 5.0, an angle-of-attack range extending to greater than 30 deg, and an angle-of-sideslip range extending to greater than 15 deg. Contrary to the sharp calibration changes found on traditional pitot-static systems at transonic speeds, the FADS calibrations are smooth, monotonic functions of Mach number and effective angles of attack and sideslip. Because the FADS calibration is sensitive to pressure port location, detailed measurements of the actual pressure port locations on the flight vehicle are required and the wind-tunnel calibration model should have pressure ports in similar locations. The procedure for calibrating a FADS system is outlined.

Cobleigh, Brent R.↗