Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “diffusion Monte Carlo”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2

Modeling Charge Collection in Detector Arrays

A detector array charge collection model has been developed for use as an engineering tool to aid in the design of optical sensor missions for operation in the space radiation environment. This model is an enhancement of the prototype array charge collection model that was developed for the Next Generation Space Telescope (NGST) program. The primary enhancements were accounting for drift-assisted diffusion by Monte Carlo modeling techniques and implementing the modeling approaches in a windows-based code. The modeling is concerned with integrated charge collection within discrete pixels in the focal plane array (FPA), with high fidelity spatial resolution. It is applicable to all detector geometries including monolithc charge coupled devices (CCDs), Active Pixel Sensors (APS) and hybrid FPA geometries based on a detector array bump-bonded to a readout integrated circuit (ROIC).

Hardage, Donna↗

Monte-Carlo analysis of rarefied-gas diffusion including variance reduction using the theory of Markov random walks

Molecular diffusion through a rarefied gas is analyzed by using the theory of Markov random walks. The Markov walk is simulated on the computer by using random numbers to find the new states from the appropriate transition probabilities. As the sample molecule during its random walk passes a scoring position, which is a location at which the macroscopic diffusing flow variables such as molecular flux and molecular density are desired, an appropriate payoff is scored. The payoff is a function of the sample molecule velocity. For example, in obtaining the molecular flux across a scoring position, the random walk payoff is the net number of times the scoring position has been crossed in the positive direction. Similarly, when the molecular density is required, the payoff is the sum of the inverse velocity of the sample molecule passing the scoring position. The macroscopic diffusing flow variables are then found from the expected payoff of the random walks.

Perlmutter, M.↗

Computer simulation of the velocity diffusion of cosmic rays

Monte Carlo simulation experiments were performed in order to study the velocity diffusion of charged particles in a static turbulent magnetic field. By following orbits of particles moving in a large ensemble of random magnetic field realizations with suitable chosen statistical properties, a pitch-angle diffusion coefficient is derived. Results are presented for a variety of particle rigidities and rms random field strengths and compared with the predictions of standard quasi-linear theory and the nonlinear partially averaged field theory.

Kaiser, T. B.↗

Morphological evolution of growing crystals - A Monte Carlo simulation

The combined effects of nutrient diffusion and surface kinetics on the crystal morphology were investigated using a Monte Carlo model to simulate the evolving morphology of a crystal growing from a two-component gaseous nutrient phase. The model combines nutrient diffusion, based on a modified diffusion-limited aggregation process, with anisotropic surface-attachment kinetics and surface diffusion. A variety of conditions, ranging from kinetic-controlled to diffusion-controlled growth, were examined. Successive transitions from compact faceted (dominant surface kinetics) to open dendritic morphologies (dominant volume diffusion) were obtained.

Xiao, Rong-Fu↗

Shock acceleration of diffuse ions at the earth's bow shock Acceleration efficiency and A/Z enhancement

Observations of particle spectra, intensity, and enhancement of alpha particles over protons at diffuse ion events at the quasi-parallel earth bow shock are compared to a Monte Carlo simulation of diffusive shock acceleration. The simulation includes the back reaction of accelerated particles on the shock structure, particle escape at an upstream free escape boundary, and a low energy per nucleon threshold for thermal leakage of downstream, shock-heated particles into the upstream region. The simulation assumes that the same scattering operator that gives rise to shock acceleration can also describe a viscous shock governed by hydrodynamic turbulence. This implies that accelerated ions can be drawn directly from the thermal solar wind with no separate superthermal seed population. Good agreement between the simulation and observations made during nearly radial magnetic field configurations lends support to thermal leakage of downstream, shock-heated ions as the mode of injection for diffusion ion events.

Ellison, D. C.↗

Computer simulation of the velocity diffusion of cosmic rays

Monte Carlo simulation experiments have been performed in order to study the velocity diffusion of charged particles in a static turbulent magnetic field. By following orbits of particles moving in a large ensemble of random magnetic field realizations with suitably chosen statistical properties, a pitch-angle diffusion coefficient is derived. Results are presented for a variety of particle rigidities and rms random field strengths and compared with the predictions of standard quasi-linear theory and the nonlinear partially averaged field theory.

Kaiser, T. B.↗

Lidar multiple scattering: Dependence on atmospheric parameters

Backscatter lidars are very useful tools in gaining information about the atmosphere. Inversion of backscatter signals can be used to retrieve the spatial distribution of clouds and aerosols, e.g., vertical extensions of clouds and aerosol layers, detection of 'subvisible' cirrus, etc., very accurately compared to passive radiometers. To retrieve extinction coefficient profiles, in general, the so-called lidar equation is solved. This equation describes a laser pulse which propagates through an atmosphere with transmission exp(- integral of sigma(z')dz'), which is scattered singly under 180 degrees towards a receiver, and which is attenuated on its way back again by exp(- integral of sigma(z')dz'). For inversion, further information on optical properties of the scatterers are required (extinction to backscatter ratio). However, it is evident that, at least for optically thick clouds and/or large receiver's field-of-views, this approach may be erroneous because of multiply scattered photons. Several studies were performed to simulate multiple scattering in case of collimated beams or pulses including Monte Carlo, transport, and diffusion theory. Unfortunately, most of the approaches require an enormous amount of computer time. Thus, it is meaningful to elaborate approximate methods, and one such method is discussed. Our method is based on Bissonnett (1988). We have improved the numerical simulation of limited field-of-view detectors, and compared the results to Monte Carlo calculations and an exact model of Altmann (1989).

Wiegner, Matthias↗

AMSR-2 Daily Snow Depth Data Product Using a Neural Network Algorithm Trained by Collocated ICESat-2 Measurements

By using diffusion theory and Monte Carlo lidar radiative transfer simulations, Hu 1 et al. (2022b) has derived snow depth from the first-, second- and third-order moments of the lidar backscattering pathlength distribution. Lu 2 et al. (2022,2024) calculated the snow depth by applying the methods to the satellite ICESat-2 lidar measurements over the Arctic sea ice, as well as land surfaces of Northern Hemisphere. In this paper, a neural network (NN) algorithm, employing several channels from AMSR-2 and the humidity vertical profiles GMAO GEOS-IT, is trained to determine snow depth identified by time and geolocation matched 2019 ICESat-2 snow-depth data during winter months over the Arctic sea ice. The trained NN snow-depth was applied to 2014-2020 AMSR-2 clear pixel data, although the algorithms perform reasonably well in thinner clouds. This paper used AMSR-2 data, a passive microwave instrument to generate a wide range of snow depth data, covering extensive spatial areas in the cross-orbit direction.

Neural Network↗

Snow Depth from AMSR-2 Using Multispectral Satellite Data in an Artificial Neural Network

By using diffusion theory and Monte Carlo lidar radiative transfer simulations, Hu et al. (2022b) has derived snow depth from the first-, second- and third-order moments of the lidar backscattering pathlength distribution. Lu et al. (2022) calculated the snow depth by applying the methods to the satellite ICESat-2 lidar measurements over the Arctic sea ice, as well as land surfaces of Northern Hemisphere. In this paper, an artificial neural network (ANN) algorithm, employing several channels from Advanced Microwave Scanning Radiometer 2 (AMSR-2) and the humidity vertical profiles from Global Modeling and Assimilation Office (GMAO) Goddard Earth Observing System for Instrument Teams (GEOS-IT) product, is trained to determine snow depth identified by time and geolocation matched 2019 ICESat-2 snow-depth data during winter months over the Arctic sea ice. The trained ANN snow-depth was applied to 2018 AMSR-2 clear pixel data, although the algorithms perform reasonably well in thinner clouds. The validation data (different from the training set) of ANN snow depth from AMSR-2 showed a good agreement with time matched and co-located snow-depth values from ICESat-2. The bias was near zero, with mean absolute error (MAE) 0.05 cm and a root-mean-square-error (RMSE) 0.08 cm. Prior applying the trained ANN snow depth to AMSR-2 data, a cloud screening algorithm was developed with a similar approach. A separate ANN cloud mask was trained to determine an AMSR-2 pixel is clear or cloudy with time and geolocation matched 2015 CALIOP Vertical Feature Mask (VFM) over Arctic sea ice. The ANN cloud mask from AMSR-2 under-estimated cloud fraction by 3-6% compared to CALIOP . The additional research is needed to conclusively evaluate the ANN cloud mask accuracy. Finally, this paper will lay the foundation for a sustained long-term snowfall and snow-storm monitoring system. The future Cloud Aerosol LIdar for Global scale Observations of the ocean-Land Atmosphere system (CALIGOLA) mission will provide a means to calculate snow depth from the lidar backscattering pathlength distribution, benefiting from the UV, visible and infrared pulses. With the calculated snow depth as the truth one could develop a machine learning algorithm, as it was done in this paper, using a passive microwave instrument available at that time to generate a wide range of snow depth data, covering extensive spatial areas in the cross-orbit direction.

Neural Network↗

Monte Carlo simulation of particle acceleration at astrophysical shocks

A Monte Carlo code was developed for the simulation of particle acceleration at astrophysical shocks. The code is implemented in Turbo Pascal on a PC. It is modularized and structured in such a way that modification and maintenance are relatively painless. Monte Carlo simulations of particle acceleration at shocks follow the trajectories of individual particles as they scatter repeatedly across the shock front, gaining energy with each crossing. The particles are assumed to scatter from magnetohydrodynamic (MHD) turbulence on both sides of the shock. A scattering law is used which is related to the assumed form of the turbulence, and the particle and shock parameters. High energy cosmic ray spectra derived from Monte Carlo simulations have observed power law behavior just as the spectra derived from analytic calculations based on a diffusion equation. This high energy behavior is not sensitive to the scattering law used. In contrast with Monte Carlo calculations diffusive calculations rely on the initial injection of supra-thermal particles into the shock environment. Monte Carlo simulations are the only known way to describe the extraction of particles directly from the thermal pool. This was the triumph of the Monte Carlo approach. The question of acceleration efficiency is an important one in the shock acceleration game. The efficiency of shock waves efficient to account for the observed flux of high energy galactic cosmic rays was examined. The efficiency of the acceleration process depends on the thermal particle pick-up and hence the low energy scattering in detail. One of the goals is the self-consistent derivation of the accelerated particle spectra and the MHD turbulence spectra. Presumably the upstream turbulence, which scatters the particles so they can be accelerated, is excited by the streaming accelerated particles and the needed downstream turbulence is convected from the upstream region. The present code is to be modified to include a better description of particle scattering (pitch-angle instead of hard-sphere) and as iterative procedure for treating the self-excitation of the MHD turbulence.

Campbell, Roy K.↗

Kinetic Monte Carlo Investigation of the Effects of Vacancy Pairing on Oxygen Diffusivity in Yttria-Stabilized Zirconia

Yttria-stabilized zirconia s high oxygen diffusivity and corresponding high ionic conductivity, and its structural stability over a broad range of temperatures, have made the material of interest for use in a number of applications, for example, as solid electrolytes in fuel cells. At low concentrations, the stabilizing yttria also serves to increase the oxygen diffusivity through the presence of corresponding oxygen vacancies, needed to maintain charge neutrality. At higher yttria concentration, however, diffusivity is impeded by the larger number of relatively high energy migration barriers associated with yttrium cations. In addition, there is evidence that oxygen vacancies preferentially occupy nearest-neighbor sites around either dopant or Zr cations, further affecting vacancy diffusion. We present the results of ab initio calculations that indicate that it is energetically favorable for oxygen vacancies to occupy nearest-neighbor sites adjacent to Y ions, and that the presence of vacancies near either species of cation lowers the migration barriers. Kinetic Monte Carlo results from simulations incorporating this effect are presented and compared with results from simulations in which the effect is not present.

Good, Brian S.↗

Influence of a fat layer on the near infrared spectra of human muscle: quantitative analysis based on two-layered Monte Carlo simulations and phantom experiments

The influence of fat thickness on the diffuse reflectance spectra of muscle in the near infrared (NIR) region is studied by Monte Carlo simulations of a two-layer structure and with phantom experiments. A polynomial relationship was established between the fat thickness and the detected diffuse reflectance. The influence of a range of optical coefficients (absorption and reduced scattering) for fat and muscle over the known range of human physiological values was also investigated. Subject-to-subject variation in the fat optical coefficients and thickness can be ignored if the fat thickness is less than 5 mm. A method was proposed to correct the fat thickness influence. c2005 Optical Society of America.

NASA Discipline Life Sciences Technologies↗

Globular cluster photometry with the Hubble Space Telescope. 2: U, V, and I measurements of M15

The projected density distribution of resolved stars near the center of M15 is shown to be consistent with either a power-law cusp N(r) approximately r(exp alpha), with alpha approximately -0.85 +/- 0.2, or with a King model with a core of radius approximately less than 2 sec. The inferred slope is in agreement with the theoretical value, alpha = -0.75, calculated by Bahcall and Wolf for the distribution of equal-mass stars surrounding a massive black hole and is also consistent with the radial profile expected from core collapse without a central black hole. The object AC 214 is a candidate for the central density cusp. Analysis of Monte Carlo simulations of the diffuse light indicates that, using current analysis techniques and available data, the residual light is not a reliable indicator of the true density distribution. This is contrary to earlier work. Photometric measurements in V and I of more than 5 x 10(exp 3) stars (and in U, V, and I of approximately greater than 1500 stars) are used to construct color-magnitude diagrams in the central 1 min of M15. Fourteen blue straggler candidates are identified in the inner 20 sec. The central color gradient noticed by previous researchers is caused by a central depletion of bright red giant stars rather than an excess of blue stragglers or blue horizontal branch stars.

Yanny, Brian↗

Kinetic Monte Carlo Simulations of Rod Eutectics and the Surface Roughening Transition in Binary Alloys

In this paper we report on two related topics: Kinetic Monte Carlo simulations of the steady state growth of rod eutectics from the melt, and a study of the surface roughness of binary alloys. We have implemented a three dimensional kinetic Monte Carlo (kMC) simulation with diffusion by pair exchange only in the liquid phase. Entropies of fusion are first chosen to fit the surface roughness of the pure materials, and the bond energies are derived from the equilibrium phase diagram, by treating the solid and liquid as regular and ideal solutions respectively. A simple cubic lattice oriented in the {100} direction is used. Growth of the rods is initiated from columns of pure B material embedded in an A matrix, arranged in a close packed array with semi-periodic boundary conditions. The simulation cells typically have dimensions of 50 by 87 by 200 unit cells. Steady state growth is compliant with the Jackson-Hunt model. In the kMC simulations, using the spin-one Ising model, growth of each phase is faceted or nonfaceted phases depending on the entropy of fusion. There have been many studies of the surface roughening transition in single component systems, but none for binary alloy systems. The location of the surface roughening transition for the phases of a eutectic alloy determines whether the eutectic morphology will be regular or irregular. We have conducted a study of surface roughness on the spin-one Ising Model with diffusion using kMC. The surface roughness was found to scale with the melting temperature of the alloy as given by the liquidus line on the equilibrium phase diagram. The density of missing lateral bonds at the surface was used as a measure of surface roughness.

Bentz, Daniel N.↗

Comparison of generalized transport and Monte-Carlo models of the escape of a minor species

The steady-state diffusion of a minor species through a static background species is studied using a Monte Carlo model and a generalized 16-moment transport model. The two models are in excellent agreement in the collision-dominated region and in the 'transition region'. In the 'collisionless' region the 16-moment solution contains two singularities, and physical meaning cannot be assigned to the solution in their vicinity. In all regions, agreement between the models is best for the distribution function and for the lower-order moments and is less good for higher-order moments. Moments of order higher than the heat flow and hence beyond the level of description provided by the transport model have a noticeable effect on the shape of distribution functions in the collisionless region.

Demars, H. G.↗

Application of Monte Carlo techniques to transient thermal modeling of cavity radiometers having diffuse-specular surfaces

A viable alternative to the net exchange method of radiative analysis which is equally applicable to diffuse and diffuse-specular enclosures is presented. It is particularly more advantageous to use than the net exchange method in the case of a transient thermal analysis involving conduction and storage of energy as well as radiative exchange. A new quantity, called the distribution factor is defined which replaces the angle factor and the configuration factor. Once obtained, the array of distribution factors for an ensemble of surface elements which define an enclosure permits the instantaneous net radiative heat fluxes to all of the surfaces to be computed directly in terms of the known surface temperatures at that instant. The formulation of the thermal model is described, as is the determination of distribution factors by application of a Monte Carlo analysis. The results show that when fewer than 10,000 packets are emitted, an unsatisfactory approximation for the distribution factors is obtained, but that 10,000 packets is sufficient.

Mahan, J. R.↗

Diffuse interstellar bands in reflection nebulae

A Monte Carlo code for radiation transport calculations is used to compare the profiles of the lambda lambda 5780 and 6613 Angstrom diffuse interstellar bands in the transmitted and the reflected light of a star embedded within an optically thin dust cloud. In addition, the behavior of polarization across the bands were calculated. The wavelength dependent complex indices of refraction across the bands were derived from the embedded cavity model. In view of the existence of different families of diffuse interstellar bands the question of other parameters of influence is addressed in short.

Fischer, O.↗