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 127 records · Page 7

Reversible electron heating vs. wave-particle interactions in quasi-perpendicular shocks

The energy necessary to explain the electron heating in quasi-perpendicular collisionless shocks can be derived either from the electron acceleration in the d.c. cross shock electric potential, or by the interactions between the electrons and the waves existing in the shock. A Monte Carlo simulation has been performed to study the electron distribution function evolution through the shock structure, with and without particle diffusion on waves. This simulation has allowed us to clarify the relative importance of the two possible energy sources; in particular it has been shown that the electron parallel temperature is determined by the d.c. electromagnetic field and not by any wave-particle-induced heating. Wave particle interactions are effective in smoothing out the large gradients in phase space produced by the 'reversible' motion of the electrons, thus producing a 'cooling' of the electrons.

Veltri, P.↗

Tortuosity Computations of Porous Materials using the Direct Simulation Monte Carlo

Low-density carbon fiber preforms, used as thermal protection systems (TPS) materials for planetary entry systems, have permeable, highly porous microstructures consisting of interlaced fibers. Internal gas transport in TPS is important in modeling the penetration of hot boundary-layer gases and the in-depth transport of pyrolysis and ablation products. The gas effective diffusion coefficient of a porous material must be known before the gas transport can be modeled in material response solvers; however, there are very little available data for rigid fibrous insulators used in heritage TPS.The tortuosity factor, which reflects the efficiency of the percolation paths, can be computed from the effective diffusion coefficient of a gas inside a porous material and is based on the micro-structure of the material. It is well known, that the tortuosity factor is a strong function of the Knudsen number. Due to the small characteristic scales of porous media used in TPS applications (typical pore size of the order of 50 micron), the transport of gases can occur in the rarefied and transitional regimes, at Knudsen numbers above 1. A proper way to model the gas dynamics at these conditions consists in solving the Boltzmann equation using particle-based methods that account for movement and collisions of atoms and molecules.In this work we adopt, for the first time, the Direct Simulation Monte Carlo (DSMC) method to compute the tortuosity factor of fibrous media in the rarefied regime. To enable realistic simulations of the actual transport of gases in the porous medium, digitized computational grids are obtained from X-ray micro-tomography imaging of real TPS materials. The SPARTA DSMC solver is used for simulations. Effective diffusion coefficients and tortuosity factors are obtained by computing the mean-square displacement of diffusing particles.We first apply the method to compute the tortuosity factors as a function of the Knudsen number for computationally designed materials such as random cylindrical fibers and packed bed of spheres with prescribed porosity. Results are compared to literature values obtained using random walk methods in the rarefied and transitional regime and a finite-volume method for the continuum regime. We then compute tortuosity factors for a real carbon fiber material with a transverse isotropic structure (FiberForm), quantifying differences between through-thickness and in-plain tortuosities at various Knudsen regimes.

Tortuosity↗

Thermal radiation heat transfer.

A comprehensive discussion of heat transfer by thermal radiation is presented, including the radiative behavior of materials, radiation between surfaces, and gas radiation. Among the topics considered are property prediction by electromagnetic theory, the observed properties of solid materials, radiation in the presence of other modes of energy transfer, the equations of transfer for an absorbing-emitting gas, and radiative transfer in scattering and absorbing media. Also considered are radiation exchange between black isothermal surfaces, radiation exchange in enclosures composed of diffuse gray surfaces and in enclosures having some specularly reflecting surfaces, and radiation exchange between nondiffuse nongray surfaces. The use of the Monte Carlo technique in solving radiant-exchange problems and problems of radiative transfer through absorbing-emitting media is explained.

Siegel, R.↗

Direct simulation of hypersonic flows over blunt slender bodies

Results of a numerical study of low-density hypersonic flow about cylindrically blunted wedges and spherically blunted cones with body half angles of 0, 5, and 10 deg are presented. Most of the transitional flow regime encountered during entry between the free molecule and continuum regimes is simulated for a reentry velocity of 7.5 km/s by including freestream conditions of 70 to 100 km. The bodies are at zero angle of incidence and have diffuse and finite catalytic surfaces. Translational, thermodynamic, and chemical nonequilibrium effects are considered in the numerical simulation by utilizing the direct simulation Monte Carlo (DSMC) method. The numerical simulations show that noncontinuum effects such as surface temperature jump, and velocity slip are evident for all cases considered. The onset of chemical dissociation occurs at a simulated altitude of 96 km for the two-dimensional configurations. Comparisons between the DSMC and continuum viscous shock-layer calculations highlight the significant difference in flowfield structure predicted by the two methods.

Moss, J. N.↗

Monte Carlo treatment of Lyman-alpha radiation in a plane-parallel atmosphere.

A Monte Carlo technique involving Stokes vectors is used to obtain the state of polarization and intensity of solar Lyman-alpha photons as they diffuse through a plane-parallel homogeneous model of earth's hydrogen envelope. Fine structure of Lyman-alpha and Doppler redistribution of frequencies are taken into account. Comparison of the results with Heath's observed upper limit for polarization of 1.5 per cent implies an optical thickness tau greater than 7 and intensities of 8-10 kilorayleighs for a solar Lyman-alpha flux of 5.8 ergs per sq cm per sec.

Modali, S. B.↗

Thermalization and transport of photoelectrons - A comparison of theoretical approaches.

Three methods of studying ionospheric photoelectron thermalization, in which transport effects are evaluated in different ways, are outlined and compared. One method uses a diffusion equation formulation, the second proceeds from a two-stream approximation to the general particle transfer equation, and the third employs a Monte Carlo technique to simulate electron paths. The methods are compared by applying them to identically prepared models. The methods are in close agreement for altitudes in the region of local energy loss, but higher altitudes reveal a discrepancy of as much as a factor of 2 in the net flux of photoelectrons. The discrepancy is removed by appropriately modifying the computational techniques.

Cicerone, R. J.↗

A High Resolution Liquid Xenon Imaging Telescope for 0.3-10 MeV Gamma Ray Astrophysics: Construction and Initial Balloon Flights

The results achieved with a 3.5 liter liquid xenon time projection chamber (LXe-TPC) prototype during the first year include: the efficiency of detecting the primary scintillation light for event triggering has been measured to be higher than 85%; the charge response has been measured to be stable to within 0.1% for a period of time of about 30 hours; the electron lifetime has been measured to be in excess of 1.3 ms; the energy resolution has been measured to be consistent with previous results obtained with small volume chambers; X-Y gamma ray imaging has been demonstrated with a nondestructive orthogonal wires readout; Monte Carlo simulation results on detection efficiency, expected background count rate at balloon altitude, background reduction algorithms, telescope response to point-like and diffuse sources, and polarization sensitivity calculations; and work on a 10 liter LXe-TPC prototype and gas purification/recovery system.

Aprile, Elena↗

The Ocean Colour Climate Change Initiative: III. A Round-Robin Comparison on In-Water Bio-Optical Algorithms

Satellite-derived remote-sensing reflectance (Rrs) can be used for mapping biogeochemically relevant variables, such as the chlorophyll concentration and the Inherent Optical Properties (IOPs) of the water, at global scale for use in climate-change studies. Prior to generating such products, suitable algorithms have to be selected that are appropriate for the purpose. Algorithm selection needs to account for both qualitative and quantitative requirements. In this paper we develop an objective methodology designed to rank the quantitative performance of a suite of bio-optical models. The objective classification is applied using the NASA bio-Optical Marine Algorithm Dataset (NOMAD). Using in situ Rrs as input to the models, the performance of eleven semianalytical models, as well as five empirical chlorophyll algorithms and an empirical diffuse attenuation coefficient algorithm, is ranked for spectrally-resolved IOPs, chlorophyll concentration and the diffuse attenuation coefficient at 489 nm. The sensitivity of the objective classification and the uncertainty in the ranking are tested using a Monte-Carlo approach (bootstrapping). Results indicate that the performance of the semi-analytical models varies depending on the product and wavelength of interest. For chlorophyll retrieval, empirical algorithms perform better than semi-analytical models, in general. The performance of these empirical models reflects either their immunity to scale errors or instrument noise in Rrs data, or simply that the data used for model parameterisation were not independent of NOMAD. Nonetheless, uncertainty in the classification suggests that the performance of some semi-analytical algorithms at retrieving chlorophyll is comparable with the empirical algorithms. For phytoplankton absorption at 443 nm, some semi-analytical models also perform with similar accuracy to an empirical model. We discuss the potential biases, limitations and uncertainty in the approach, as well as additional qualitative considerations for algorithm selection for climate-change studies. Our classification has the potential to be routinely implemented, such that the performance of emerging algorithms can be compared with existing algorithms as they become available. In the long-term, such an approach will further aid algorithm development for ocean-colour studies.

Phytoplankton↗

Influence of Thermophysical Property Variability on Thermal Predictions of Ti-6Al-4V

The additive manufacturing (AM) industry has experienced rapid growth in recent decades as industrial interest in the process has grown. Because of this, there are many groups interested in simulations of the AM process. However, the influence of thermophysical property variability on the melt pool geometry during processing of various AM alloys is unclear. The goal of my work at NASA Langley Research Center (LaRC) was to characterize this influence on Ti-6Al-4V during AM processing alongside developing a tool to enable equivalent studies on other AM materials. To facilitate this process, a database tool was developed to contain and organize thermophysical data previously reported by primary sources. The specific thermophysical properties of interest for this study were density, specific heat capacity, and conductivity. Thermal diffusivity was calculated using the other three properties. This data was then fit with a Gaussian distribution and then randomly sampled from using Monte Carlo random value sampling. Using the Rosenthal equation, this sample data was used to simulate the temperature field during additive manufacturing and extract the melt pool geometry. Specifically, the melt pool’s length, width, and depth. This process was repeated an arbitrary number of times, with the default being 1000. Once this information was obtained, histograms were made showing the distributions of the sizes of the melt pool’s length, width, and depth. Representative statistical metrics of the distributions were calculated (mean, standard deviation, and coefficient of variance). This work found that at the simulated processing values, the melt pool’s width and depth had a 5.7% variation while the length had a 3.2% variation. Additionally, a tool was constructed to graph a thermal color map representation of the melt pool for specific, arbitrary values of density, specific heat, and conductivity. This tool allowed for more efficient plotting of individual queries of the thermophysical properties. The results that were observed in the research were that values reported in literature vary and this variance can have a significant impact on the simulation. Predictions of the melt pool’s dimensions show that length has a standard deviation of approximately 6 μm, width has a standard deviation of approximately 5 μm, and depth can vary by approximately 3 μm. Considering the mean sizes of length, width, and depth are 185 μm, 88 μm, and 44 μm respectively, such a deviation is significant. This shows that depth, for example, could be more than 10% larger or smaller than expected. This demonstrates that variability in the reported thermophysical properties are not negligible and should be expected to have an influence on the results of the laser powder bed fusion additive manufacturing process. When simulating this process in the future, measures should be taken to account for this discrepancy and the uncertainty involved

Justin Martin↗

Effects of the specular Orbiter forward radiators on a typical Spacelab payload thermal environment

Orbiter radiators, having a specular reflection, must be considered when determining the design environment for payloads which can view the forward deployed radiators. Unlike most surfaces on the Orbiter, which reflect energy diffusely, the radiators are covered with a highly specular silverized Teflon material, with high emissivity, and have a concave contour, producing a local concentration of reflected energy towards the region of angle incidence. The combined effects of radiator specularity and geometry were analyzed using the Thermal Radiation Analysis System (TRASYS II), a specialized ray trace program, and a generalized Monte-Carlo-based thermal radiation program. Data given for a 0 deg payload inclination angle at orbital noon at 3.454 m indicate that the maximum total flux and average flux can increase 173% and 63%, respectively, when compared to diffuse radiators.

Turner, L. D.↗

Electromagnetic scattering in clouds

Techniques used to explain the nature of the optical effects of clouds on the light produced by lightning include a Monte Carlo simulation, an equivalent medium approach, and methods based on Boltzmann transport theory. A cuboidal cloud has been considered using transform methods and a diffusion approximation. Many simplifying assumptions have been used by authors to make this problem tractable. In this report, the cloud will have a spherical shape and its interior will consist of a uniform distribution of identical spherical water droplets. The source will be modeled as a Hertz dipole, electric or magnetic, inside or outside the cloud. An impulsive source is used. Superposition may be employed to obtain a sinusoid within an envelope which describes a lightning event. The problem is investigated by transforming to the frequency domain, obtaining Green's functions, and then using the Cagniard-DeHoop method to symbolically recover the time domain solution.

Solakiewicz, Richard↗

Monte Carlo simulation of reentry flows with ionization

The Direct Simulation Monte Carlo method is applied to a rarefied, weakly ionized, hypersonic flow over a blunt axisymmetric body. An ionization model based on the concept of ambipolar diffusion is used and a model for the sheath is presented. The effects of the new modeling techniques are investigated for flow over the Project Fire II configuration at 11.37 km/s at an altitude of 84.6 km. The calculated results are presented and compared with both experimental data and solutions where ionization effects were not included. In general, the calculated results overpredict the experimental values by about 15-20 percent.

Taylor, Jeff C.↗

Energy Models for One-Carrier Transport in Semiconductor Devices

Moment models of carrier transport, derived from the Boltzmann equation, made possible the simulation of certain key effects through such realistic assumptions as energy dependent mobility functions. This type of global dependence permits the observation of velocity overshoot in the vicinity of device junctions, not discerned via classical drift-diffusion models, which are primarily local in nature. It was found that a critical role is played in the hydrodynamic model by the heat conduction term. When ignored, the overshoot is inappropriately damped. When the standard choice of the Wiedemann-Franz law is made for the conductivity, spurious overshoot is observed. Agreement with Monte-Carlo simulation in this regime required empirical modification of this law, or nonstandard choices. Simulations of the hydrodynamic model in one and two dimensions, as well as simulations of a newly developed energy model, the RT model, are presented. The RT model, intermediate between the hydrodynamic and drift-diffusion model, was developed to eliminate the parabolic energy band and Maxwellian distribution assumptions, and to reduce the spurious overshoot with physically consistent assumptions. The algorithms employed for both models are the essentially non-oscillatory shock capturing algorithms. Some mathematical results are presented and contrasted with the highly developed state of the drift-diffusion model.

Jerome, Joseph W.↗

Extension of the Viscous Collision Limiting Direct Simulation Monte Carlo Technique to Multiple Species

There are many flows fields that span a wide range of length scales where regions of both rarefied and continuum flow exist and neither direct simulation Monte Carlo (DSMC) nor computational fluid dynamics (CFD) provide the appropriate solution everywhere. Recently, a new viscous collision limited (VCL) DSMC technique was proposed to incorporate effects of physical diffusion into collision limiter calculations to make the low Knudsen number regime normally limited to CFD more tractable for an all-particle technique. This original work had been derived for a single species gas. The current work extends the VCL-DSMC technique to gases with multiple species. Similar derivations were performed to equate numerical and physical transport coefficients. However, a more rigorous treatment of determining the mixture viscosity is applied. In the original work, consideration was given to internal energy non-equilibrium, and this is also extended in the current work to chemical non-equilibrium.

Liechty, Derek S.↗

The International Intercomparison of 3-Dimensional Radiation Codes

I3RC (International Intercomparison of 3-dimensional Radiation Codes) has as its primary goal to compare a wide variety of three-dimensional (3D) radiative transfer methods applied to Earth's atmosphere, with a few selected cloud fields as input, and a few selected radiative quantities as output. Phases 1 and 2 are now complete, and participants represented institutions in Canada, France, Germany, Russia, the United Kingdom, and the USA, who met for two workshops in Tucson, Arizona USA, and compared results from 5 cloud fields of varying complexity, beginning with simplified atmosphere and surface, and proceeding to more realistic cases. Phase 3 is now underway, focusing on improvement and sharing of 3D radiation code, aided by working groups on "Approximations" and "Open Source". The "Approximations" group has so far focused on diffusive approximate methods in an attempt to gain advantages in execution time, and also to advance the understanding of 3D radiation processes. The "Open Source" subgroup is developing a Monte Carlo radiative transfer toolkit that makes state-of-the-art techniques available to a wide range of users. Activities of both subgroups are further explained at the I3RC website http://i3rc.gsfc.nasa.gov. Participants in 13RC are forming a 3D Working Group under the auspices of the International Radiation Commission, and will meet for this and related activities at a workshop in Tucson in November 2002.

Cahalan, R. F.↗

Elemental Mercury Diffusion Processes and Concentration at the Lunar Poles

In 2009, the Lyman Alpha Mapping Project (LAMP) spectrograph onboard the Lunar Reconnaissance Orbiter (LRO) spacecraft made the first detection of element mercury (Hg) vapor in the lunar exosphere after the Lunar Crater Observing and Sensing Satellite (LCROSS) Centaur rocket impacted into the Cabeus crater in the southern polar region of the Moon. The lunar regolith core samples from the Apollo missions determined that Hg had a devolatilized pattern with a concentration gradient increasing with depth, in addition to a layered pattern suggesting multiple episodes of burial and volatile loss. Hg migration on the lunar surface resulted in cold trapping at the poles. We have modeled the rate at which indigenous Hg is lost from the regolith through diffusion out of lunar grains. We secondly modeled the migration of Hg vapor in the exosphere and estimated the rate of cold-trapping at the poles using a Monte Carlo technique. The Hg vapor may be lost from the exosphere via ionization, Jeans escape, or re-impact into the surface causing reabsorption.

Moxley, Frederick↗

Dynamical evolution of the Oort cloud

New studies of the dynamical evolution of cometary orbits in the Oort cloud are made using a revised version of Weissman's (1982) Monte Carlo simulation model, which more accurately mimics the perturbation of comets by the giant planets. It is shown that perturbations by Saturn and Jupiter provide a substantial barrier to the diffusion of cometary perihelia into the inner solar system. Perturbations by Uranus and Neptune are rarely great enough to remove comets from the Oort cloud, but do serve to scatter the comets in the cloud in initial energy. The new model gives a population of 1.8 to 2.1 x 10 to the 12th comets for the present-day Oort cloud, and a mass of 7 to 8 earth masses. Perturbation of the Oort cloud by giant molecular clouds in the galaxy is discussed, as is evidence for a massive 'inner Oort cloud' internal to the observed one. The possibility of an unseen solar companion orbiting in the Oort cloud and causing periodic comet showers is shown to be dynamically plausible but unlikely, based on the observed cratering rate on the earth and moon.

Weissman, P. R.↗

Particle acceleration in step function shear flows - A microscopic analysis

The transport of energetic particles in a moving, scattering fluid, which has a large shear in its velocity over a distance small compared with the scattering mean free path is discussed. The analysis is complementary to an earlier paper by Earl, Jokipii, and Morfill (1988), which considered effects of more-gradual shear in the diffusion approximation. The case in which the scattering fluid undergoes a step function change in velocity, in the direction normal to the flow is considered. An analytical, approximate calculation and a Monte Carlo analysis of particle motion are presented. It is found that particles gain energy at a rate proportional to the square of the magnitude of the velocity change.

Jokipii, J. R.↗