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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Monte Carlo analysis of lobular gas-surface scattering in tubes applied to thermal transpiration

A model of rarefied gas flow in tubes was developed which combines a lobular distribution with diffuse reflection at the wall. The model with Monte Carlo techniques was used to explain previously observed deviations in the free molecular thermal transpiration ratio which suggest molecules can have a greater tube transmission probability in a hot-to-cold direction than in a cold-to-hot direction. The model yields correct magnitudes of transmission probability ratios for helium in Pyrex tubing (1.09 to 1.14), and some effects of wall-temperature distribution, tube surface roughness, tube dimensions, gas temperature, and gas molecular mass.

Smith, J. D.↗
NASA NTRSDate not supplied

Solid-state Precipitation in Molecular Dynamics: KMC-MD Hybrid Simulations

A critical drawback of molecular dynamics (MD) simulations when modeling physical properties is the limitation to short timescales. Solid state precipitation is one behavior that is not significantly observable at timescales accessible to MD, and thus has been difficult to simulate at an MD scale. Taking inspiration from Kinetic Monte-Carlo (KMC) methods for simulating diffusion on a rigid lattice, we have developed a hybrid KMC-MD approach to enable simulation of solid-state precipitation during MD simulation implemented in LAMMPS. This method incorporates the atomic neighbor hopping behavior utilized by KMC simulations into a MD simulation with a variable local lattice configuration. By accelerating nearest-neighbor atomic hopping with this technique, solid-state precipitation can be observed at an MD timescale. Utilizing theory based on persistent-embryo methods for liquid-solid precipitation in MD we demonstrate the calculation of critical nucleus size for the gamma’ precipitation out of gamma phase in the Ni-Al system.

Molecular Dynamics↗
NASA NTRSDate not supplied

Solid-state Precipitation in Molecular Dynamics: kMC-MD Hybrid Simulations

A critical drawback of molecular dynamics (MD) simulations when modeling physical properties is the limitation to short timescales. Solid state precipitation is one behavior that is not significantly observable at timescales accessible to MD, and thus has been difficult to simulate at an MD scale. Taking inspiration from Kinetic Monte-Carlo (KMC) methods for simulating diffusion on a rigid lattice, we have developed a hybrid KMC-MD approach to enable simulation of solid-state precipitation during MD simulation implemented in LAMMPS. This method incorporates the atomic neighbor hopping behavior utilized by KMC simulations into a MD simulation with a variable local lattice configuration. By accelerating nearest-neighbor atomic hopping with this technique, solid-state precipitation can be observed at an MD timescale. Utilizing theory based on persistent-embryo methods for liquid-solid precipitation in MD we demonstrate the calculation of critical nucleus size for the gamma’ precipitation out of gamma phase in the Ni-Al system.

Molecular Dynamics↗
NASA NTRS1974

The effect of repeated Compton scatterings on the diffuse X-ray background

Recent Monte Carlo computations, based on a speculative extrapolation of the electron spectrum, suggested that repeated scatterings contribute most of the extragalactic X-ray background around 3 MeV in a Compton model. We have redone this calculation analytically with a similar electron spectrum, but with very different results. The double-scatter contribution near 3 MeV does not exceed 1 percent and cannot improve the fit to data. The effect is largest near 1 keV but will probably not be observable.

Felten, J. E.↗
NASA NTRS1990

Particle injection and acceleration at earth's bow shock - Comparison of upstream and downstream events

The injection and acceleration of thermal solar wind ions at the quasi-parallel earth's bow shock during radial interplanetary magnetic field conditions is investigated. Active Magnetospheric Particle Tracer Explorers/Ion Release Module satellite observations of complete proton spectra, and of heavy ion spectra above 10 keV/Q, made on September 12, 1984 near the nose of the shock, are presented and compared to the predictions of a Monte Carlo shock simulation which includes diffusive shock acceleration. It is found that the spectral observations are in good agreement with the predictions of the simulation when it is assumed that all accelerated ions originate in the solar wind and are injected into the acceleration mechanism by thermal leakage from the downstream plasma. The efficiency, which is determined directly from the downstream observations, is high, with at least 15 percent of the solar wind energy flux going into accelerated particles. The comparisons allow constraints to be placed on the rigidity dependence of the scattering mean free path and suggest that the upstream solar wind must be slowed substantially by backstreaming accelerated ions prior to undergoing a sharp transition in the viscous subshock.

Ellison, Donald C.↗
NASA NTRS1995

Photochemical modeling of Titan's atmosphere

We have developed a new photochemical model of Titan's atmosphere which includes all the important compounds and reactions in spherical geometry from the surface to 1240 km. Compared to the previous model of Yung et al. (1984), the most significant recent change in the reactions used is the updated methane dissociation scheme (Mordaunt et al. 1993). Moreover, the transfer of the solar radiation in the atmosphere and the photolysis rates have been calculated by using a Monte Carlo code. Finally, the eddy diffusion coefficient profile is adjusted in order to fit the mean vertical distribution of HCN retrieved from millimeter groundbased observations of Tanguy et al. (1990); using new values for the boundary flux of atomic nitrogen (Strobel et al. 1992). We have run the model in both steady-state and diurnal modes, with 62 species involved in 249 reactions. There is little difference between diurnal and steady-state results. Overall our results are in a closer agreement with the abundances inferred from the Voyager infrared measurements at the equator than the Yung et al. results. We find that the catalytic scheme for H recombination invoked by Yung et al. only slightly improves the model results and we conclude that this scheme is not essential to fit observations.

Toublanc, D.↗
NASA NTRS2010

Multiple Scattering of Laser Pulses in Snow Over Ice: Modeling the Potential Bias in ICESat Altimetry

The primary goal of NASA's current ICESat and future ICESat2 missions is to map the altitude of the Earth's land ice with high accuracy using laser altimetry technology, and to measure sea ice freeboard. Ice however is a highly transparent optical medium with variable scattering and absorption properties. Moreover, it is often covered by a layer of snow with varying depth and optical properties largely dependent on its age. We describe a modeling framework for estimating the potential altimetry bias caused by multiple scattering in the layered medium. We use both a Monte Carlo technique and an analytical diffusion model valid for optically thick media. Our preliminary numerical results are consistent with estimates of the multiple scattering delay from laboratory measurements using snow harvested in Greenland, namely, a few cm. Planned refinements of the models are described.

Davis, A. B.↗
NASA NTRSDate not supplied

Determination of Interfacial Energy for Solid-State Precipitation

Precipitation of strengthening phases from solid state is a critical process for many materials. For example, the high-temperature creep resistance of Ni-based superalloys is governed by ’ precipitates. However, the interfacial energy which controls the precipitation is expensive to determine experimentally. For simulations, the atomic nature of precipitation events necessitates using Molecular Dynamics (MD) so relying on fitting to a-priori experimental behavior is not required. However, the solid-state precipitation takes orders of magnitude longer time than is accessible for traditional MD simulation. Taking inspiration from Kinetic Monte-Carlo (KMC) methods for simulating diffusion on a rigid lattice, we have developed a hybrid KMC-MD approach to enable simulation of solid-state precipitation (and determination of the interfacial energy). Implementing these methods in LAMMPS, we calculated the interfacial energy for the ’ precipitation out of a super-saturated  phase in Ni-based superalloys. The resulting interfacial energy value for the Ni-Al system is well within the accuracy of experimental values, demonstrating the capability of this method. Enabling the calculation of the interfacial energy without a-priori experimental knowledge of the precipitation unlocks a more efficient ICME-based approach for guiding annealing protocols in Ni-based superalloys and other solid-state precipitation systems.

Precipitation↗
NASA NTRS1998

Inverse Compton Scattering in Mildly Relativistic Plasma

We investigated the effect of inverse Compton scattering in mildly relativistic static and moving plasmas with low optical depth using Monte Carlo simulations, and calculated the Sunyaev-Zel'dovich effect in the cosmic background radiation. Our semi-analytic method is based on a separation of photon diffusion in frequency and real space. We use Monte Carlo simulation to derive the intensity and frequency of the scattered photons for a monochromatic incoming radiation. The outgoing spectrum is determined by integrating over the spectrum of the incoming radiation using the intensity to determine the correct weight. This method makes it possible to study the emerging radiation as a function of frequency and direction. As a first application we have studied the effects of finite optical depth and gas infall on the Sunyaev-Zel'dovich effect (not possible with the extended Kompaneets equation) and discuss the parameter range in which the Boltzmann equation and its expansions can be used. For high temperature clusters (k(sub B)T(sub e) greater than or approximately equal to 15 keV) relativistic corrections based on a fifth order expansion of the extended Kompaneets equation seriously underestimate the Sunyaev-Zel'dovich effect at high frequencies. The contribution from plasma infall is less important for reasonable velocities. We give a convenient analytical expression for the dependence of the cross-over frequency on temperature, optical depth, and gas infall speed. Optical depth effects are often more important than relativistic corrections, and should be taken into account for high-precision work, but are smaller than the typical kinematic effect from cluster radial velocities.

Molnar, S. M.↗
NASA NTRS1988

Monte Carlo modeling of large-scale ion-conic generation

Cyclotron resonance with observed electric field fluctuations is demonstrated to be responsible for production of the oxygen ion conics that are observed by the Dynamics Explorer 1 satellite in the central plasma sheet region of the earth's auroral zone. The ion velocity distribution is described by a quasi-linear diffusion equation which is solved using the Monte Carlo technique. The acceleration produced by the observed wave spectrum agrees well with the ion observations, in both form and magnitude.

Retterer, J. M.↗
NASA NTRS1987

Monte Carlo modeling of ionospheric oxygen acceleration by cyclotron resonance with broad-band electromagnetic turbulence

It is demonstrated that cyclotron resonance with observed electric field fluctuations is responsible for production of the oxygen-ion conics that are observed by the Dynamics Explorer 1 satellite in the central plasma-sheet region of the earth's magnetosphere. The ion-velocity distribution is described by a quasi-linear diffusion equation which is solved by the Monte Carlo technique. The acceleration produced by the observed wave spectrum agrees well with the ion observations, in both form and magnitude. This is believed to represent the first successful comparison of an observed conic with any theoretical model.

Retterer, John M.↗
NASA NTRS2018

Solar Wind Implantation into Lunar Regolith II: Monte Carlo Simulations of Hydrogen Retention in a Surface with Defects and the Hydrogen (H, H2) Exosphere

Recently, the near-infrared observations of the OH veneer on the lunar surface by the Moon Mineralogy Mapper (M3) have been refined to constrain the OH content to 500-750 parts per million (ppm). The observations indicate diurnal variations in OH up to 200 ppm possibly linked to warmer surface temperatures at low latitude. We examine the M3 observations using a statistical mechanics approach to model the diffusion of implanted H in the lunar regolith. We present results from Monte Carlo simulations of the diffusion of implanted solar wind H atoms and the subsequently derived H and H2 exospheres.

Exosphere↗
NASA NTRS1981

Monte Carlo simulation of charged particles upstream of the earth's bow shock

A simple model of the earth's bow shock is presented and compared with ISEE-1 observations of diffuse ions upstream of the shock. Ion behavior is modeled in a test particle simulation using Monte Carlo techniques for a plane parallel shock at which cold solar wind ions are heated sufficiently to allow diffusion back upstream. Fitting of the model to the observations indicates that the diffusion coefficient must increase faster than linearly with velocity, and provides an upper limit to the acceleration efficiency defined as the proportion of incoming solar wind ions accelerated and observed upstream. Results suggest that astrophysical shocks are capable of accelerating ions directly from the thermal plasma without the need for a distinct preenergizing injection stage.

Ellison, D. C.↗
NASA NTRS2000

An Overview of the NCC Spray/Monte-Carlo-PDF Computations

This paper advances the state-of-the-art in spray computations with some of our recent contributions involving scalar Monte Carlo PDF (Probability Density Function), unstructured grids and parallel computing. It provides a complete overview of the scalar Monte Carlo PDF and Lagrangian spray computer codes developed for application with unstructured grids and parallel computing. Detailed comparisons for the case of a reacting non-swirling spray clearly highlight the important role that chemistry/turbulence interactions play in the modeling of reacting sprays. The results from the PDF and non-PDF methods were found to be markedly different and the PDF solution is closer to the reported experimental data. The PDF computations predict that some of the combustion occurs in a predominantly premixed-flame environment and the rest in a predominantly diffusion-flame environment. However, the non-PDF solution predicts wrongly for the combustion to occur in a vaporization-controlled regime. Near the premixed flame, the Monte Carlo particle temperature distribution shows two distinct peaks: one centered around the flame temperature and the other around the surrounding-gas temperature. Near the diffusion flame, the Monte Carlo particle temperature distribution shows a single peak. In both cases, the computed PDF's shape and strength are found to vary substantially depending upon the proximity to the flame surface. The results bring to the fore some of the deficiencies associated with the use of assumed-shape PDF methods in spray computations. Finally, we end the paper by demonstrating the computational viability of the present solution procedure for its use in 3D combustor calculations by summarizing the results of a 3D test case with periodic boundary conditions. For the 3D case, the parallel performance of all the three solvers (CFD, PDF, and spray) has been found to be good when the computations were performed on a 24-processor SGI Origin work-station.

Raju, M. S.↗
NASA NTRS1992

Hit rates and radiation doses to nuclei of bone lining cells from alpha-particle-emitting radionuclides

Factors relating the local concentration of a bone-seeking alpha-particle emitter to the mean hit rate have been determined for nuclei of bone lining cells using a Monte Carlo procedure. Cell nuclei were approximated by oblate spheroids with dimensions and location taken from a previous histomorphometric study. The Monte Carlo simulation is applicable for planar and diffuse labels at plane or cylindrical bone surfaces. Additionally, the mean nuclear dose per hit, the dose mean per hit, the mean track segment length and its second moment, the percentage of stoppers, and the frequency distribution of the dose have been determined. Some basic features of the hit statistics for bone lining cells have been outlined, and the consequences of existing standards of radiation protection with regard to the hit frequency to cell nuclei are discussed.

NASA Discipline Musculoskeletal↗
NASA NTRS1998

Monte Carlo Simulations of Background Spectra in Integral Imager Detectors

Predictions of the expected gamma-ray backgrounds in the ISGRI (CdTe) and PiCsIT (Csl) detectors on INTEGRAL due to cosmic-ray interactions and the diffuse gamma-ray background have been made using a coupled set of Monte Carlo radiation transport codes (HETC, FLUKA, EGS4, and MORSE) and a detailed, 3-D mass model of the spacecraft and detector assemblies. The simulations include both the prompt background component from induced hadronic and electromagnetic cascades and the delayed component due to emissions from induced radioactivity. Background spectra have been obtained with and without the use of active (BGO) shielding and charged particle rejection to evaluate the effectiveness of anticoincidence counting on background rejection.

Armstrong, T. W.↗
NASA NTRS1985

High resolution Cherenkov detectors for cosmic ray isotope experiment

Cerenkov detectors are used to measure the velocity of particles in configurations designed to study the isotopic composition of galactic cosmic rays. The geometrical properties of the detector are outlined. Monte-Carlo simulations of photon propagation in a diffusive detector were undertaken. The scattering properties of diffusively reflecting white paint and of surface treatments for the radiator material were measured. It is found that the absorption of light in the radiator is an important light loss mechanism. The simulations are used to find optimal mapping techniques and data reduction strategies. The application of these techniques are discussed with respect to the large area isotopic composition experiment (ALICE) Cerenkov detector.

Acharya, B. S.↗