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Results for “Kinetic methods”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Toward a better understanding of Ni coarsening in solid oxide cells: NiH on Ni (111) examined at the level of density-functional theory (and KMC)

Ni coarsening in the fuel electrode of solid oxide cells (SOCs) is known to be significantly faster under a humid atmosphere. In this talk, density-functional theory and kinetic Monte Carlo methods are used to explore the hypothesis that the surface diffusion of NiH on Ni may promote Ni coarsening in the SOC operated in electrolysis cell mode. Defining the surface diffusivity as the product of the fractional surface coverage and single-molecule surface diffusivity, the surface diffusivity of NiH on Ni (111) is found to be large enough under a significant overpotential to support the above hypothesis. However, as NiH could dissociate on Ni (111), more work is needed to show that NiH may promote Ni coarsening.

Mantz, Yves↗
DOE OSTI2025

Examining Ni Coarsening in Solid Oxide Electrolysis Cells by Characterizing NiH on Ni (111) Using a Combined Theoretical Approach

Ni coarsening in the fuel electrode of solid oxide cells (SOCs) is an important degradation mechanism. In this talk, density-functional theory and kinetic Monte Carlo methods are used to explore the hypothesis that the surface diffusion of NiH on Ni may promote Ni coarsening in the SOC operated in electrolysis cell mode. Using both methods and defining the diffusivity as the product of the surface coverage and single-molecule diffusivity, the diffusivity of NiH on Ni (111) is found to be sufficiently large under a significant overpotential to support the above hypothesis. Also, the time between the formation and dissociation of NiH on Ni (111) is predicted to be short at low coverages of H on Ni (111). Thus, significant progress is made toward developing a model of Ni coarsening considering both molecular and dissociated forms of NiH on Ni (111).

density functional theory (DFT)↗
NASA NTRS1977

The momentum transfer of incompressible turbulent separated flow due to cavities with steps

An experimental study was conducted using a plate test bed having a turbulent boundary layer to determine the momentum transfer to the faces of step/cavity combinations on the plate. Experimental data were obtained from configurations including an isolated configuration and an array of blocks in tile patterns. A momentum transfer correlation model of pressure forces on an isolated step/cavity was developed with experimental results to relate flow and geometry parameters. Results of the experiments reveal that isolated step/cavity excrecences do not have a unique and unifying parameter group due in part to cavity depth effects and in part to width parameter scale effects. Drag predictions for tile patterns by a kinetic pressure empirical method predict experimental results well. Trends were not, however, predicted by a method of variable roughness density phenomenology.

White, R. E.↗
NASA NTRS1978

Monte Carlo solution of Boltzmann equation for a simple model of highly nonequilibrium diatomic gases: Translational rotational energy relaxation

The semiclassical transition probability was incorporated in the simulation for energy exchange between rotational and translational energy. The results provide details on the fundamental mechanisms of gas kinetics where analytical methods were impractical. The validity of the local Maxwellian assumption and relaxation time, rotational-translational energy transition, and a velocity analysis of the inelastic collision were discussed in detail.

Yoshikawa, K. K.↗
NASA NTRS1978

Transport properties in the Jovian atmosphere

Transport properties in a Jupiter-like atmosphere (89 mol % hydrogen and 11 mol % helium) are obtained by using the method of the kinetic theory of gases. The transport collision integrals are calculated by fitting various two-body semiempirical interaction potentials for which the collision integrals are tabulated to ab initio quantum mechanical calculations of the two-body interactions. The collision integrals are used to calculate the binary diffusion coefficients, viscosity, and 'total' thermal conductivity of the pure gases and the gas mixtures at 1-atm pressure from 1000 K to 25,000 K.

Biolsi, L.↗
NASA NTRS1986

Electron-Diffraction Analysis of Growth of GaAs

Report describes experiments that used reflection high-energy-electron diffraction (RHEED) to investigate behavior of GaAs surfaces during and after growth by molecular-beam epitaxy (MBE). Experimental results show dynamic RHEED measurements useful both as probes of surface and growth kinetics and as methods for determining and reproducing surface and growth conditions.

Lewis, B. F.↗
NASA NTRS1989

Direct simulations of turbulent flow using finite-difference schemes

A high-order accurate finite-difference approach is presented for calculating incompressible turbulent flow. The methods used include a kinetic energy conserving central difference scheme and an upwind difference scheme. The methods are evaluated in test cases for the evolution of small-amplitude disturbances and fully developed turbulent channel flow. It is suggested that the finite-difference approach can be applied to complex geometries more easilty than highly accurate spectral methods. It is concluded that the upwind scheme is a good candidate for direct simulations of turbulent flows over complex geometries.

Rai, Man Mohan↗
NASA NTRS2003

Asteroids as Propulsion Systems of Space Ships

Currently, rockets are used to change the trajectory of space ships and probes. This method is very expensive and requires a lot of fuel, which limits the feasibility of space stations, interplanetary space ships, and probes. Sometimes space probes use the gravity field of a planet However, there am only nine planets in the Solar System, all separated by great distances. There are tons of millions of asteroids in outer space. This paper offers a revolutionary method for changing the trajectory of space probes. The method uses the kinetic or rotary energy of asteroids, comet nuclei, meteorites or other space bodies (small planets, natural planetary satellites, space debris, etc.) to increase (to decrease) ship (probe) speed up to 1000 m/sec (or more) and to achieve any new direction in outer space. The flight possibilities of space ships and probes are increased by a factor of millions.

Bolonkin, Alexander↗
NASA NTRS2002

Employment of Asteroids for Movement Space Ship and Probes

At present, rockets are used to change the trajectory of space ships and probes. This method is very expensive and requires a lot of fuel, which limits the feasibility of space stations, interplanetary space ships, and probes. Sometimes space probes use the gravity field of a planet. However, there are only 9 planets in our solar system and they are separated by great distances. There are tens of millions of asteroids in outer space. The author offers a revolutionary method for changing the trajectory of space probes. This method uses the kinetic or rotary energy of asteroids, meteorites or other space bodies (small planets, natural planet satellites, etc.). to increase (to decrease) ship (probe) speed up to 1000 m/sec (or more) and to get any new direction in outer space. The flight possibilities of space ships and probes are increased by a factor of millions.

Bolonkin, Alexander↗
NASA NTRS2009

A Cell Kinetic Model of Granulocytopoiesis Under Radiation Exposure: Extension from Murines to Canines and Humans

Space radiation poses significant challenges to space travel, and it is essential to understand the possible adverse effects from space radiation exposure to the radiosensitive organ systems that are important for immediate survival of human, e.g., the hematopoietic system. In this presentation a biomathematical model of granulocytopoiesis is described and used to analyze the blood granulocyte changes seen in the blood of mammalians under continuous and acute radiation exposure. This is one of a set of hematopoietic models that have been successfully utilized to simulate and interpret the experimental data of acute and chronic radiation on rodents. We discuss the underlying implicit regulation mechanism and the biological relevance of the kinetic parameters estimation method. Extension of the model to predictions in dogs and humans systems indicates that the modeling results are consistent with the cumulative experimental and empirical data from various sources. This implies the potential to integrate the models into one united system for monitoring the hematopoietic response of various species under irradiation. Based on the evidence of threshold responses of dogs to extended periods of low daily dose exposures, we discuss the potential health risks of the space traveler under chronic stress of low-dose irradiation and the possibly encountered Solar Particle Events.

Hu, Shaowen↗
NASA NTRSDate not supplied

CFD Modeling of Phase Change and Pressure Drop during Violent Sloshing of Cryogenic Fluid in a Small-Scale Tank

This paper presents the development of a two-phase CFD model that is used to study sloshing of a cryogenic fluid (LN2) undergoing phase change generated by lateral acceleration and its effects on the ensuing heat and mass transfer and pressure drop in a small-scale tank. In this model the interface is captured using the volume-of-fluid (VOF) method [1]. Kinetic-theory based Schrage relation [2] is used for calculating phase change mass transfer at the liquid-vapor interface. Computational results are compared to the data provided by a non-isothermal sloshing experiment with phase change conducted by the University of Tokyo and JAXA in 2018 using liquid Nitrogen in a transparent tank. The effect of different thicknesses of a liquid temperature stratification layer created at the interface on the pressure drop during sloshing was studied experimentally. CFD results for interface movement and tank pressure are presented and compared in this paper to experimental data for the cases with the smallest and largest liquid temperature stratification thickness.

phase change↗
NASA NTRS1974

Elementary solutions of coupled model equations in the kinetic theory of gases

The method of elementary solutions is employed to solve two coupled integrodifferential equations sufficient for determining temperature-density effects in a linearized BGK model in the kinetic theory of gases. Full-range completeness and orthogonality theorems are proved for the developed normal modes and the infinite-medium Green's function is constructed as an illustration of the full-range formalism. The appropriate homogeneous matrix Riemann problem is discussed, and half-range completeness and orthogonality theorems are proved for a certain subset of the normal modes. The required existence and uniqueness theorems relevant to the H matrix, basic to the half-range analysis, are proved, and an accurate and efficient computational method is discussed. The half-space temperature-slip problem is solved analytically, and a highly accurate value of the temperature-slip coefficient is reported.

Kriese, J. T.↗
NASA NTRS1992

A pressure correction method for the calculation of compressible chemical reacting flows

A recently developed noniterative method for the solution of the transient fluid flow equations at all speed is extended to handle chemical reacting flows. The species conservation equations are loosely coupled into the predictor/multicorrector sequence of the solution procedure. A split-operator method separates the chemical kinetics terms from the fluid-dynamical terms, as well as an implicit differencing method enhance the numerical stability. The method was applied for turbulent diffusion flame calculations and for the analyses of high pressure, axisymmetric turbulent hypersonic nozzle flows. The diffusion flame results were compared with a similar pressure method for fast chemistry integration scheme without operator-splitting. Simulations of the nozzle flow indicated that the nonideal intermolecular effects must be included in the analysis and design of high pressure hypersonic nozzle.

Chen, Z. J.↗
NASA NTRS2001

Development of an Innovative Algorithm for Aerodynamics-Structure Interaction Using Lattice Boltzmann Method

The lattice Boltzmann equation (LBE) is a kinetic formulation which offers an alternative computational method capable of solving fluid dynamics for various systems. Major advantages of the method are owing to the fact that the solution for the particle distribution functions is explicit, easy to implement, and the algorithm is natural to parallelize. In this final report, we summarize the works accomplished in the past three years. Since most works have been published, the technical details can be found in the literature. Brief summary will be provided in this report. In this project, a second-order accurate treatment of boundary condition in the LBE method is developed for a curved boundary and tested successfully in various 2-D and 3-D configurations. To evaluate the aerodynamic force on a body in the context of LBE method, several force evaluation schemes have been investigated. A simple momentum exchange method is shown to give reliable and accurate values for the force on a body in both 2-D and 3-D cases. Various 3-D LBE models have been assessed in terms of efficiency, accuracy, and robustness. In general, accurate 3-D results can be obtained using LBE methods. The 3-D 19-bit model is found to be the best one among the 15-bit, 19-bit, and 27-bit LBE models. To achieve desired grid resolution and to accommodate the far field boundary conditions in aerodynamics computations, a multi-block LBE method is developed by dividing the flow field into various blocks each having constant lattice spacing. Substantial contribution to the LBE method is also made through the development of a new, generalized lattice Boltzmann equation constructed in the moment space in order to improve the computational stability, detailed theoretical analysis on the stability, dispersion, and dissipation characteristics of the LBE method, and computational studies of high Reynolds number flows with singular gradients. Finally, a finite difference-based lattice Boltzmann method is developed for inviscid compressible flows.

Mei, Ren-Wei↗
NASA NTRS1975

Hydrogen chemistry - Perspective on experiment and theory

A review is presented of the advantages and limitations of various experimental methods for the investigation of the kinetics of hydrogen chemistry, including classic thermal and photochemical methods and the crossed molecular beam method. Special attention is given to the flash photolysis-resonance fluorescence apparatus developed by Braun et al, in which repetitive vacuum UV flashes result in the photolytic generation of the desired species, and to the discharge-flow technique. The use of various theoretical methods for the selection or elimination of kinetic data is considered in a brief discussion of the rate theory of two-body encounters and recombination-dissociation processes in neutral reactions. Recent kinetic studies of a series of OH reactions and of a major loss process for odd H in the stratosphere are summarized.

Kaufman, F.↗
NASA NTRS1974

Kinetic approach to the evaporation and condensation problem

In the paper, the Boltzmann equation governing the evaporation and condensation phenomena is solved by the Monte Carlo method. Based on the kinetic theory of gas the role of the non-equilibrium Knudsen layer and the growth of the hydrodynamic region outside the layer as time proceeds are simulated. Results show two possible types of transient developments in the vapor phase. The effects of the molecular absorption coefficient of the phase surface are examined. Except in the case of very strong evaporation the kinematic effects of binary collisions among vapor molecules on the mass flux rate are not serious. The limiting case of the quasi-steady evaporation and the maximal value of the evaporation rate are obtained.

Murakami, M.↗
NASA NTRS1992

Kinetic tetrazolium microtiter assay

A method for conducting an in vitro cell assay using a tetrazolium indicator is disclosed. The indicator includes a nonionic detergent which solubilizes a tetrazolium reduction product in vitro and has low toxicity for the cells. The incubation of test cells in the presence of zolium bromide and octoxynol (TRITON X-100) permits kinetics of the cell metabolism to be determined.

Pierson, Duane L.↗