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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

ORNL_AISD_NiPt

This dataset describes the nickel-platinum (NiPt) solid solution binary alloy, where the two constituent elements nickel (Ni) and platinum (Pt) are randomly placed on the face centered cubic (FCC) crystal structure, with the lattice constant of 3.840 angstroms. The dataset comprises data for three different sizes of the crystal structure: 256 atoms, 864 atoms, and 2,048 atoms, each of which contains 1900 configurations. For each size of the crystal structure, the data set was generated for concentrations ranging from 0at% of Pt to 100at% of Pt in the NiPt binary system, with increasing the concentration of Pt in the system every 5at%. For each one of the chemical compositions, 100 random configurations were generated, each with a different random seed. Each of the output files contains the mass, type, atomic coordinates, energy per atom, and forces in x, y, and z directions respectively. For each atomic configuration, the output was collected every 150 steps during the minimization stage and every 1000 steps during the replica exchange stage. Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) [1], which is a molecular dynamics code, was used to generate data for NiPt alloy. The simulation used the interatomic potential for NiPt binary system MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001 [3] from the OpenKIM library (Open Knowledgebase of Interatomic Models) [2]. This potential was developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM). The simulation process begins with the generation of the random NiPt structure and follows with the short minimization and replica exchange simulation. The minimization procedure adjusts atomic coordinates and performs energy minimization, which typically leads to a local potential energy minimum. The method used for the minimization was the conjugate gradient algorithm. A short replica exchange (parallel tempering) simulation involves four replicas (ensembles) of a system and follows the minimization stage. Multiple snapshots of the configuration were collected during the minimization and replica exchange stages. NiPt alloy is interesting due to its magnetic and charge transfer properties [4]. The data is provided in three compressed zipped folders: atoms256.zip, atoms864.zip, atoms2048.zip Each zipped folder contains the data that describes crystals of size 256 atoms, 864 atoms, and 2,048 atoms respectively. Each one of the three zipped folders contains the data structured in the following way: -Ni_ground_state.cfg --> atomic configuration for the pure nickel -Pt_ground_state.cfg --> atomic configuration for the pure platinum -Pt#_filtered --> folders containing atomic configurations for #at% concentration of platinum. The folder contains 100 atomic configurations, each saved in a subfolder. Each subfolder named config* is associated with a specific atomic configuration. Each of these subfolders contains files with .cfg format, corresponding to outputs for each atomic configuration The total number of atomic configurations contained in atoms256.zip is 65,046. The total number of atomic configurations contained in atoms864.zip is 63,936. The total number of atomic configurations contained in atoms2048.zip is 61,997. The total number of atomic configurations spanned by the entire dataset is 190,979. References [1] https://www.lammps.org/ [2] https://openkim.org/ [3] https://openkim.org/id/MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001 [4] El-Gendy, Ahmed A. and Hampel, Silke and Büccchner, Bernd and Klingeler, Rüdiger, Tuneable magnetic properties of carbon-shielded NiPt-nanoalloys, RSC Adv., volume 6, issue 57, pages 52427-52433, 2016, The Royal Society of Chemistry, doi:10.1039/C6RA05910D

36 MATERIALS SCIENCE↗
DOE OSTI2023

ORNL_AISD_NiPt_108atoms

This dataset describes the nickel-platinum (NiPt) solid solution binary alloy, where the two constituent elements nickel (Ni) and platinum (Pt) are randomly placed on the face centered cubic (FCC) crystal structure, with the lattice constant of 3.840 angstroms. The dataset comprises data for crystal structures with 108 atoms with 1,900 configurations. The data set was generated for concentrations ranging from 0at% of Pt to 100at% of Pt in the NiPt binary system, with increasing the concentration of Pt in the system every 5at%. For each one of the chemical compositions, 100 random configurations were generated, each with a different random seed. Each of the output files contains the mass, type, atomic coordinates, energy per atom, and forces in x, y, and z directions respectively. For each atomic configuration, the output was collected every 150 steps during the minimization stage and every 1000 steps during the replica exchange stage. Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) [1], which is a molecular dynamics code, was used to generate data for NiPt alloy. The simulation used the interatomic potential for NiPt binary system 'MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001' [3] from the OpenKIM library (Open Knowledgebase of Interatomic Models) [2]. This potential was developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM). The simulation process begins with the generation of the random NiPt structure and follows with the short minimization and replica exchange simulation. The minimization procedure adjusts atomic coordinates and performs energy minimization, which typically leads to a local potential energy minimum. The method used for the minimization was the conjugate gradient algorithm. A short replica exchange (parallel tempering) simulation involves four replicas (ensembles) of a system and follows the minimization stage. Multiple snapshots of the configuration were collected during the minimization and replica exchange stages. NiPt alloy is interesting due to its magnetic and charge transfer properties [4]. The data is provided in a compressed zipped folders atoms108.zip. The zipped folder contains the data structured in the following way: - Ni_ground_state.cfg --> atomic configuration for the pure nickel - Pt_ground_state.cfg --> atomic configuration for the pure platinum - Pt#_filtered --> folders containing atomic configurations for #at% concentration of platinum. The folder contains 100 atomic configurations, each saved in a subfolder - Each subfolder named config* is associated with a specific atomic configuration. Each of these subfolders contains files with .cfg format, corresponding to outputs for each atomic configuration The total number of atomic configurations contained in atoms108.zip is 66,132. This dataset is an extension to the dataset ORNL_AISD_NiPt [5] that has been previously released with crystal structures of 256 atoms, 864 atoms, and 2,048 atoms, with the same methodology for data collection. References [1] https://www.lammps.org/ [2] https://openkim.org/ [3] https://openkim.org/id/MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001 [4] El-Gendy, Ahmed A. and Hampel, Silke and Büchner, Bernd and Klingeler, Rüdiger, Tuneable magnetic properties of carbon-shielded NiPt-nanoalloys, RSC Adv., volume 6, issue 57, pages 52427-52433, 2016, The Royal Society of Chemistry, doi:10.1039/C6RA05910D [5] M. Karabin, M. Lupo Pasini, and M. Eisenbach. ORNL_AISD_NiPt. United States: N. p., 2023. Web. doi:10.13139/OLCF/1958172.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A new form of the Saint-Venant equations for variable topography

The solution stability of river models using the one-dimensional (1D) Saint-Venant equations can be easily undermined when source terms in the discrete equations do not satisfy the Lipschitz smoothness condition for partial differential equations. Although instability issues have been previously noted, they are typically treated as model implementation issues rather than as underlying problems associated with the form of the governing equations. This study proposes a new reference slope form of the Saint-Venant equations to ensure smooth slope source terms and eliminate one source of potential numerical oscillations. It is shown that a simple algebraic transformation of channel geometry provides a smooth reference slope while preserving the correct cross-section flow area and the total Piezometric pressure gradient that drives the flow. The reference slope method ensures the slope source term in the governing equations is Lipschitz continuous while maintaining all the underlying complexity of the real-world geometry. The validity of the mathematical concept is demonstrated with the open-source Simulation Program for River Networks (SPRNT) model in a series of artificial test cases and a simulation of a small urban creek. Validation comparisons are made with analytical solutions and the Hydrologic Engineering Center's River Analysis System (HEC-RAS) model. The new method reduces numerical oscillations and instabilities without requiring ad hoc smoothing algorithms.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1972

A computer program for the calculation of laminar and turbulent boundary layer flows

The results are presented of a study to produce a computer program to calculate laminar and turbulent boundary layer flows. The program is capable of calculating the following types of flow: (1) incompressible or compressible, (2) two dimensional or axisymmetric, and (3) flows with significant transverse curvature. Also, the program can handle a large variety of boundary conditions, such as blowing or suction, arbitrary temperature distributions and arbitrary wall heat fluxes. The program has been specialized to the calculation of equilibrium air flows and all of the thermodynamic and transport properties used are for air. For the turbulent transport properties, the eddy viscosity approach has been used. Although the eddy viscosity models are semi-empirical, the model employed in the program has corrections for pressure gradients, suction and blowing and compressibility. The basic method of approach is to put the equations of motion into a finite difference form and then solve them by use of a digital computer. The program is written in FORTRAN 4 and requires small amounts of computer time on most scientific machines. For example, most laminar flows can be calculated in less than one minute of machine time, while turbulent flows usually require three or four minutes.

Dwyer, H. A.↗
NASA NTRS1973

Geysering inhibitor for vertical cryogenic transfer piping

Geysering (i.e., the expulsion of boiling liquid and its vapor from a vertical tube) has been a problem for the missile industry in long vertical cryogenic propellant feed lines connecting the launch vehicle propellant tank with the rocket engines. A proposed novel method of inhibiting geysering and the associated pressure gradients provides a self-starting self-regulating action that is not dependent on other active systems or components. The inhibiting action is attained by incorporating a concentric tube within the main transfer tube to prevent constriction of natural convective flow.

Howard, F. S.↗
NASA NTRS1976

High-latitude truncation errors of box-type primitive equation models

The 'box-type' finite-difference method includes a weighted average of the pressure gradient with weights proportional to the surface of the grid walls. It is shown that this averaging introduces first-order truncation errors near the poles. An example is shown in which the relative error is of zero order and the scheme produces large distortions in the solution at high latitudes.

Kalnay-Rivas, E.↗
NASA NTRS1977

Bimetallic junctions

The formation of voids through interdiffusion in bimetallic welded structures exposed to high operating temperatures is inhibited by utilizing an alloy of the parent materials in the junction of the parent materials or by preannealing the junction at an ultrahigh temperature. These methods are also used to reduce the concentration gradient of a hardening agent.

Arcella, F. G.↗
NASA NTRS1980

Tropical cyclone outer surface winds derived from satellite microwave sounder data

Upper tropospheric temperature anomalies are detected in brightness temperature data from the Nimbus 6 Scanning Microwave Spectrometer (SCAMS). Brightness temperature anomalies are related to surface pressure anomalies through the radiative transfer and hydrostatic equation. Surface wind speeds at outer radii are then estimated using the gradient wind equation and a shearing parameter. The method is first tested using simulated satellite data constructed from temperature, pressure and height data recorded by aircraft reconnaissance of four hurricanes. Wind speeds in the 80-95 kPa region are estimated with 2-3 m/sec accuracy. Next, 55.45 GHz SCAMS data over eight typhoons during 1975 are used to estimate the radii of 15.4 m/sec (30 kt) and 27.5 m/sec (50 kt) winds. Accuracies of about + or - 80 and + or - 70 km, respectively, are found. It is suggested that the technique be further tested using data from the Microwave Sounding Unit on board the TIROS-N and NOAA 6 satellites.

Kidder, S. Q.↗
NASA NTRS1983

Optical observations of unidirectional solidification in microgravity

Optical interferometric, shadowgraph, and streak photographic methods are used to obtain temperature profiles, concentration gradients, and fluid velocities in NH4Cl-H2O metal-model solution during unidirectional solidification in microgravity. This study elucidates earlier low gravity suborbital rocket experiments and lays the groundwork for space shuttle experiments. The design and operation of the optical units are presented, and results are detailed to ground based experiments. The low gravity experiments were conducted using a KC-135 aircraft flying a parabolic trajectory.

Johnston, M. H.↗
NASA NTRS1984

Analysis of Doppler lidar wind measurements

New analysis methods were developed and refined for the synthesis of wind fields from multiple Doppler radar data. Considerable software was written and debugged for wind field synthesis. The analysis methods were applied to radar data collected during the CCOPE experiment in which lidar wind measurements were also made. The analysis method differs from existing methods in that interpolation (using filters with assigned weights) and advection of data, to account for time differential between data acquisition at different points, are not used. Instead, functional fits were used in space and time coordinates to transfer radial velocity data to a space-time grid. Subsequently the wind synthesis is performed. This method gives better space resolution in the synthesized winds, compared to other methods in common use, by better preserving the gradients of velocities. The wind fields show the cellular structure characteristic of boundary-layer convection. Also evident in the analysis are the sharp transitions and gradients in the wind field which were preserved by the synthesis.

Srivastava, R. C.↗
NASA NTRS1983

Optical observations of unidirectional solidification in microgravity

Optical interferometric, shadowgraph, and streak photographic methods are used to obtain temperature profiles, concentration gradients, and fluid velocities in NH4Cl-H2O metal-model solution during unidirectional solidification in microgravity. This study elucidates earlier low gravity suborbital rocket experiments and lays the groundwork for Space Shuttle experiments. The design and operation of the optical units are presented, and results are detailed to ground based experiments. The low gravity experiments were conducted using a KC-135 aircraft flying a parabolic trajectory.

Johnston, M. H.↗
NASA NTRS1984

Spatial mapping of the thermospheric neutral wind field

There are many possible observing strategies available for mapping the thermospheric wind field by using observations of the Doppler shift of the O (1D) airglow with a Fabry-Perot interferometer. The determination of the neutral wind field from observed line-of-sight velocities invariably involves some assumptions about the nature of the wind field. A standard method of observing employs the assumption that horizontal gradients in the wind field are linear. An analysis of measurements from Arecibo, Puerto Rico, that makes use of this assumption, is discussed. For work at high latitudes this assumption may be unrealistic. An alternative approach that requires that local time and longitude be interchangeable but eschews the assumption of linear gradients has been developed and used at Ann Arbor, Michigan, and Calgary, Alberta. These different techniques are examined, and the discussion is illustrated with some typical results.

Tepley, C. A.↗
NASA NTRS1985

Development of a sensitivity analysis technique for multiloop flight control systems

This report presents the development and application of a sensitivity analysis technique for multiloop flight control systems. This analysis yields very useful information on the sensitivity of the relative-stability criteria of the control system, with variations or uncertainties in the system and controller elements. The sensitivity analysis technique developed is based on the computation of the singular values and singular-value gradients of a feedback-control system. The method is applicable to single-input/single-output as well as multiloop continuous-control systems. Application to sampled-data systems is also explored. The sensitivity analysis technique was applied to a continuous yaw/roll damper stability augmentation system of a typical business jet, and the results show that the analysis is very useful in determining the system elements which have the largest effect on the relative stability of the closed-loop system. As a secondary product of the research reported here, the relative stability criteria based on the concept of singular values were explored.

Vaillard, A. H.↗
NASA NTRS1987

Stability characteristics of a supersonic boundary layer and their relation to the position of the laminar-turbulent transition point

By comparing the calculated results with experimental data, it is demonstrated that the position of the laminar-boundary transition point of a boundary layer can be estimated by using the e-exp-n method. The effect of the Mach number, pressure gradient, and heat transfer on the laminar-turbulent transition is discussed. It is found that under conditions of strong cooling, the effect of the pressure gradient on the position of the transition point is less pronounced than in the absence of heat transfer.

Lysenko, V. I.↗
NASA NTRS1988

A new convergent point and distance modulus for the Hyades from radial velocities

The dynamics of the Hyades open star cluster is investigated analytically on the basis of the photoelectric radial velocities reported by Griffin et al. (1988). The methods used to determine the radial-velocity gradient, convergent point, and distance modulus are described, and the results are presented in tables and graphs and characterized in detail. Findings reported include convergent-point alpha = 98.2 + or - 1.1 deg and delta = 6.1 + or - 1.0 deg, space motion 48.0 + or - 0.27 km/s, distance to cluster center 45.4 + or - 2.1 pc, distance modulus 3.28 + or - 0.10, and cluster velocity dispersion 230 m/s.

Gunn, James E.↗
NASA NTRS1989

Use of the quasilinearization algorithm for the simulation of LSS slewing

The use of the Maximum Principle for the large angle slewing of large space structures (LSS) usually results in the so-called two-point boundary-value problem, in which many requirements (e.g., minimum time, small amplitude, and limited control power, etc.) must be satisfied simultaneously. The successful solution of this problem depends largely on the use of an efficient numerical algorithm. There are many candidate algorithms available for this problem (e.g., quasilinearization, gradient, etc.). Here researchers discuss only the quasilinearization method which has been used for several cases of large angle slewing of LSS. The basic idea of this algorithm is to make a series of successive approximations of the solution from a particular solvable case (linear or nonlinear) to a more general practical case. For the rigid spacecraft slewing problem with no constraints on the controls, the solution procedure can be found in the literature. This procedure needs to be modified if a minimum time for the slewing problem is desired with control limits given. Recently, an indirect method for finding the minimum time was developed to meet all these requirements. For the general mixed (including both rigid and flexible parts) problem, an additional constraint of small vibrational amplitude on the flexible parts is imposed.

Li, Feiyue↗
NASA NTRS1991

Annular denuder systems: Precision and applicability to stratospheric sampling

Annular denuder systems (ADS) are designed to sample both gases and particles from ambient air without cross interference. The ADS's were used to detect chemical gradients over rural forest canopies. Accurate and precise methods for the sampling and analysis of low concentrations of gaseous and particulate species over short sampling periods were developed. Typical analytical precision data for nitrate and sulfate are shown. Both sampling and analytical precision data for a 2 hour test using four collocated ADS's are presented. On this particular day, the overall precision for HNO3 was unusually poor. The overall precision for the major constituents of interest is generally about 3 to 5 percent for typical ambient concentrations. The ADS's could potentially be used to determine the concentrations of HNO3 and fine-particle nitrate in the stratosphere, and to simultaneously characterize the chemical composition of stratospheric aerosols. Assuming 50 mb pressure, a 2 hour sampling time, a 50 Lpm sampling rate, and a low blank value, an overal precision of about 15 percent should be possible for 1 ppbv of HNO3 or nitrate, which would include nitric-acid trihydrate (NAT); and pump-driven systems could accommodate more complex systems involving denuders and filter packs in sequence. Alternate coatings could possibly be developed to selectively sample species such as Cl2 and ClNO3. The ADS's might also be useful in laboratory studies of heterogeneous chemical reactions involving NAT aerosols.

Randtke, Stephen J.↗
NASA NTRS1991

Finite-volume application of high-order ENO schemes to two-dimensional boundary-value problems

Finite-volume applications of high-order accurate ENO schemes to two-dimensional boundary-value problems are studied. These schemes achieve high-order spatial accuracy, in smooth regions, by a piecewise polynomial approximation of the solution from cell averages. In addition, this spatial operation involves an adaptive stencil algorithm in order to avoid the oscillatory behavior that is associated with interpolation across steep gradients. High-order TVD Runge-Kutta methods are employed for time integration, thus making these schemes best suited for unsteady problems. Fifth- and sixth-order accurate applications are validated through a grid refinement study involving the solutions of scalar hyperbolic equations. A previously proposed extension for the Euler equations of gas dynamics is tested, including its application to solutions of boundary-value problems involving solid walls and curvilinear coordinates.

Casper, Jay↗