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Results for “Conditional diffusion models”

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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Numerical experiments on the role of radiative processes in the development and maintenance of upper level clouds

A time-dependent, two-dimensional Eulerian model is presented whose purpose is to obtain more realistic parameterizations of extended high level cloudiness, and the results of a numerical experiment using the model are reported. The model is anelastic and the Bousinesque assumption is invoked. Unresolved subgrid scale processes are parameterized as eddy diffusion processes. Two phases of water are incorporated and equilibrium between them is assumed. The effects of infrared radiative processes are parametrically represented. Two simulations were conducted with identical initial conditions; in one of them, the radiation term was never turned on. The mean values of perturbation potential temperature at each level in the domain are plotted versus height after 15, 30, and 60 minutes of simulated time. The influence of the radiative term is seen to impose a cooling trend, leading to an increased generation of ice water and an increased generation of turbulent kinetic energy in the cloud layer.

Starr, D. O'C.↗
NASA NTRS1986

Comptonization in supercritical winds. I - Spectral evolution. II - Dynamics and observational diagnostics

The physics governing spectral evolution in steady, fully ionized, radiatively driven winds from compact objects is examined. A largely analytic theory is developed to describe the effects of diffusion, adiabatic cooling, and repeated Compton scattering on the emergent radiation spectrum. Analytic forms for the wind temperature profile are derived, and spectral solutions obtained by considering a modified, time-independent Kompaneets equation are presented subject to a variety of initial conditions. A probabilistic formalism which describes the effect of diffusion photons travelling beyond the trapping radius is developed to allow the calculation of spectra observed at infinity. The second paper focuses on the dynamics of supercritical winds and on observational diagnostics which may be used to constrain model parameters in the contexts of specific astrophysical systems, including X-ray burst sources and mass-losing quasars.

Becker, Peter A.↗
NASA NTRS1989

A model for including thermal conduction in molecular dynamics simulations

A technique is introduced for including thermal conduction in molecular dynamics simulations for solids. A model is developed to allow energy flow between the computational cell and the bulk of the solid when periodic boundary conditions cannot be used. Thermal conduction is achieved by scaling the velocities of atoms in a transitional boundary layer. The scaling factor is obtained from the thermal diffusivity, and the results show good agreement with the solution for a continuous medium at long times. The effects of different temperature and size of the system, and of variations in strength parameter, atomic mass, and thermal diffusivity were investigated. In all cases, no significant change in simulation results has been found.

Wu, Yue↗
NASA NTRS1990

Modeling of internal contaminant deposition on a cold instrument sensor

A model is developed to predict the deposition of contaminants on the CCD sensors of the Wide Field Planetary Camera to determine expected performance parameters. Contaminant deposition due to internal instrument sources is considered as is the mechanism of transport to the CCDs themselves. The Contamination Analysis Program (CAP) model considers deposition and reemission kinetics, nodal containment sources, and internodal shape factors related to line-of-sight transport. Indirect transport is also accounted for in the CAP model by considering the effect of diffuse reflection at internodal exchanges. The effective total transport factors for each node-to-node exchange is precalculated to reduce the effective number of nodes and reducing run time of the CAP program. The method is applied to four distinct conditions and is found to be suitable for the analysis of internal self-contamination. Cold traps, venting, and vacuumlike design are factors which are found to be important for cold-sensitive sensors.

Barengoltz, Jack B.↗
NASA NTRS1992

Computer Program For Variable-Conductance Heat Pipes

VCHPDA provides accurate mathematical models of transient as well as steady-state performance of variable-conductance heat pipes over wide range of operating conditions. Applies to heat pipes with either cold, wicked or hot, nonwicked gas reservoirs and uses ideal-gas law and "flat-front" (negligible vapor diffusion) gas theory. Calculates length of gas-blocked region and temperature of vapor in active portion of heat pipe by solving set of nonlinear equations for conservation of energy and mass. Written in FORTRAN 77.

Antoniuk, D.↗
NASA NTRS1997

Cr(+2) Diffusion Doping in ZnSe

Chromium doped zinc selenides crystals have recently been demonstrated to be a promising material for near-IR room temperature tunable lasers which has an emission range of 2-3 pm. In this study, a new diffusion doping process has been developed for incorporation of Cr(+2) ion into ZnSe wafers. This process has been successfully performed under isothermal conditions, at temperatures above 800 degrees Celsius. Concentrations in excess of 10(exp 19) Cr(+2) ions/cu cm, an order of magnitude larger than previously reported in melt grown ZnSe material, have been obtained. The diffusivity was estimated to be about 10-* sq cm/sec using a classical diffusion model. Resistivity was derived from current-voltage measurements and in the 107-10(exp 16) Ohms-cm and increased as function of Cr concentration.

Journigan, Troy D.↗
NASA NTRS2024

The Global Mapping of Electron Precipitation and Ionospheric Conductance From Whistler-Mode Chorus Waves

Auroral precipitation is the second major energy source after solar irradiation that ionizes the Earth’s upper atmosphere. Diffuse electron aurora caused by wave-particle interaction in the inner magnetosphere (L < 8) takes over 60% of total auroral energy flux, strongly contributing to the ionospheric conductance and thus to the ionosphere-thermosphere dynamics. This paper quantifies the impact of chorus waves on the diffuse aurora and the ionospheric conductance during quiet, medium, and strong geomagnetic activities, parameterized by AE <100, 100 < AE < 300, and AE > 300, respectively. Using chorus wave statistics and inner-magnetosphere plasma conditions from Timed History Events and Macroscale Interactions during Substorms (THEMIS) observations, we directly derive the energy spectrum of diffuse electron precipitation under quasi-linear theory. We then calculate the height-integrated conductance from the wave-driven aurora spectrum using the electron impact ionization model of Fang et al. (Geophys. Res. Lett., 2010, 37) and the MSIS atmosphere model. By utilizing Fang’s ionization model, the US Naval Research Laboratory Mass Spectrometer and Incoherent Scattar Radar (NRLMSISE-00) model from 2000s for the neutral atmosphere components, and the University of California, Los Angeles (UCLA) Full Diffusion Code, we improve upon the standard generalization of Maxwellian diffuse electron precipitation patterns and their resulting ionosphere conductance. Our study of global auroral precipitation and ionospheric conductance from chorus wave statistics is the first statistical model of its kind. We show that the total electron flux and conductance pattern from our results agree with those of Ovation Prime model over the pre-midnight to post-dawn sector as geomagnetic activity increases. Our study examines the relative contributions of upper band chorus (UBC) and lower band chorus wave (LBC) driven conductance in the ionosphere. We found LBC waves drove diffuse electron precipitation significantly more than UBC waves, however it is possible that THEMIS data may have underestimated the upper chorus band wave observations for magnetic latitudes below 65 degrees. ° .

diffuse auroral precipitation↗
DOE OSTI2018

Experimental and modeling study of calcium carbonate precipitation and its effects on the degradation of oil well cement during carbonated brine exposure

Decalcification of cement in solutions of carbonated brine is important to a host of engineering applications, especially in subsurface service environments where cementitious materials are frequently utilized as engineered barriers for wellbore seals, as well as shaft and drift seals and waste forms for nuclear waste disposal. Analysis of leaching simulations and experiments shows that, depending on solution compositions (dissolved CO{sub 2} concentration, pH, Ca ion concentration), calcite precipitation occurring during leaching of cement in contact with carbonated brine can have a significant impact on cement reactivity, in some instances leading to complete arrest of reactivity via calcium carbonate ''pore-clogging''. We present modeling and experimental results that examine the range of solution conditions that can lead to pore-clogging. Analysis of the results shows that distinct regimes of leaching behavior, based on pH and pCO2, can be used to form a framework to better understand the occurrence of pore-clogging.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Is the acceleration of anomalous cosmic rays affected by the geometry of the termination shock?

Historically, anomalous cosmic rays (ACRs) were thought to be accelerated at the solar-wind termination shock (TS) by the diffusive shock acceleration process. When Voyager 1 crossed the TS in 2004, the measured ACR spectra did not match the theoretical prediction of a continuous power law, and the source of the high-energy ACRs was not observed. When the Voyager 2 crossed the TS in 2007, it produced similar results. Several possible explanations have since appeared in the literature, but we follow the suggestion that ACRs are still accelerated at the shock, only away from the Voyager crossing points. To investigate this hypothesis closer, we study ACR acceleration using a three-dimensional, non-spherical model of the heliosphere that is axisymmetric with respect to the interstellar flow direction. We then compare the results with those obtained for a spherical TS. A semi-analytic model of the plasma and magnetic field backgrounds is developed to permit an investigation over a wide range of parameters under controlled conditions. The model is applied to helium ACRs, whose phase-space trajectories are stochastically integrated backward in time until a pre-specified, low-energy boundary, taken to be 0.5 MeV n{sup –1} (the so-called injection energy), is reached. Our results show that ACR acceleration is quite efficient on the heliotail-facing part of the TS. For small values of the perpendicular diffusion coefficient, our model yields a positive intensity gradient between the TS and about midway through the heliosheath, in agreement with the Voyager observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

A comprehensive modeling procedure for estimating statistical properties of forced ignition

In this work, a comprehensive modeling procedure for estimating the probability of ignition with application to high altitude relights of aircraft combustors is developed. In these configurations, an ignitor is used to introduce high-enthalpy discharge into a fuel-laden but stratified flow. Because of the inherent variabilities inflow conditions, kernel discharge process, and the chaotic turbulent flow, ignition cannot be described deterministically, but only as a probabilistic measure. The proposed modeling framework consists of three components. The turbulent flow is represented using the large eddy simulation (LES) framework. The ignition process is modeled using a manifold approach, where the initial kernel evolution is represented using a homogeneous reactor while the latter part of the evolution is represented as a competition between diffusion and chemical reactions using a flamelet-type mapping. A combined lookup table that can track the evolution of the kernel through these two distinct reaction stages is developed. The table lookup variables are solved within the LES framework. The resulting simulation tool is then embedded within an uncertainty quantification approach, where variations in the turbulent flow, as well as operating and kernel properties, are simulated using a Monte-Carlo-based sampling approach. Techniques to reduce computational cost are used to obtain a robust, numerically accurate, and physically representative model for engine relight. The method is validated using experimental data for ignition of methane/air mixtures. Due to the comprehensive nature of the modeling procedure, it is found that the simulation tool reproduces experimentally observed ignition probabilities over a wide range of operating conditions.

42 ENGINEERING↗
NASA NTRS1981

Zero-gravity aerosol behavior

The feasibility and scientific benefits of a zero gravity aerosol study in an orbiting laboratory were examined. A macroscopic model was devised to deal with the simultaneous effects of diffusion and coagulation of particles in the confined aerosol. An analytical solution was found by treating the particle coagulation and diffusion constants as ensemble parameters and employing a transformation of variables. The solution was used to carry out simulated zero gravity aerosol decay experiments in a compact cylindrical chamber. The results demonstrate that the limitations of physical space and time imposed by the orbital situation are not prohibitive in terms of observing the history of an aerosol confined under zero gravity conditions. While the absence of convective effects would be a definite benefit for the experiment, the mathematical complexity of the problem is not greatly reduced when the gravitational term drops out of the equation. Since the model does not deal directly with the evolution of the particle size distribution, it may be desirable to develop more detailed models before undertaking an orbital experiment.

Edwards, H. W.↗
DOE OSTI2021

Drying model of a high salt content cementitious waste form: Effect of capillary forces and salt solution

Highlights: • Drying model for a high salt content cementitious waste form is developed. • Water vapor diffusion and capillary liquid flow are distinguished. • Capillary and salt solution effects are considered in vapor-liquid equilibrium. A water transport model coupling capillary liquid flow with vapor diffusion is developed to describe the drying process for a cementitious waste form with high salinity porewater. Vapor-liquid equilibrium is formulated as the driving force for vapor diffusion and the model accounts for pore capillary and high salinity effects on water thermodynamic activity. Pore filling and porewater surface tension as a function of pore size distribution and water saturation have been quantified for the material. Geochemical speciation modeling is used to simulate porewater activity as a function of composition over the range of saturation. The theoretical relationship between relative humidity and water saturation generally agrees with experimental measurement, and the developed model is capable of predicting drying rates under various external relative humidity conditions. The model was developed to be incorporated into reactive transport models considering the effects of drying such as salt redistribution and efflorescence.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modelling of edge plasma dynamics with active wall boundary conditions

A self-consistent 2D model is presented for transport in boundary plasma and plasma-facing material walls. Plasma dynamics in the domain is represented by a 2D collisional plasma fluid model in the edge-plasma code UEDGE, and transport of hydrogen and heat in the wall is represented by a system of reaction–diffusion equations in the 1D wall code FACE. To account for variation of parameters along the wall, in the coupled model multiple instances of the FACE code run in parallel. Here, the coupled model provides a tool for investigating a range of dynamic plasma–material interactions phenomena in 2D. For demonstration of its capability, one application of particular interest is the role of active wall in tokamak strike point sweeping proposed for mitigation of divertor heat loads. In the present study, the coupled calculations are applied to investigation of the impact of heat and hydrogen transport in the material wall on the divertor plasma and target heat load during sweeping of the target strike point for parameters of a high-power tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Understanding of Low‐Porosity Sulfur Electrode for High‐Energy Lithium–Sulfur Batteries

Abstract The lithium–sulfur (Li–S) battery is a promising technology for large‐scale energy storage and vehicle electrification due to its high theoretical energy density and low cost. Reducing the sulfur cathode porosity has been identified recently as a viable strategy for improving the cell practical energy density and minimizing pore‐filling electrolytes to extend cell life at lean electrolyte conditions. Direct use of a low‐porosity cathode for Li–S battery results in poor electrode wetting, nonuniform electrode reactions, and thus early cell failure. To understand and mitigate the barriers associated with the use of low‐porosity electrodes, multiscale modeling is performed to predict electrode wetting, electrolyte diffusion, and their impacts on sulfur reactions in Li–S cells by explicitly considering the electrode wettability impacts and electrode morphologies. The study elucidates the critical impact of low tortuosity and large channel pore design for promoting electrode wetting and species diffusion. It is suggested that the secondary particle size should be comparable with the electrode thickness to effectively promote electrolyte wettability and sulfur reactivity. This study provides new insights into the low‐porosity electrode material and designs and is expected to accelerate the development of practical high‐energy Li–S batteries.

25 ENERGY STORAGE↗
DOE OSTI2021

Simulation of hardened cement degradation and estimation of uncertainty in predicted failure times with peridynamics

Modeling the degradation of cement-based infrastructure due to aqueous environmental conditions continues to be a challenge. In order to develop a capability to predict concrete infrastructure failure due to chemical degradation, here we created a chemomechanical model of the effects of long-term water exposure on cement paste. The model couples the mechanical static equilibrium balance with reactive–diffusive transport and incorporates fracture and failure via peridynamics (a meshless simulation method). The model includes fundamental aspects of degradation of ordinary Portland cement (OPC) paste, including the observed softening, reduced toughness, and shrinkage of the cement paste, and increased reactivity and transport with water induced degradation. This version of the model focuses on the first stage of cement paste decalcification, the dissolution of portlandite. Given unknowns in the cement paste degradation process and the cost of uncertainty quantification (UQ), we adopt a minimally complex model in two dimensions (2D) in order to perform sensitivity analysis and UQ. We calibrate the model to existing experimental data using simulations of common tests such as flexure, compression and diffusion. Then we calculate the global sensitivity and uncertainty of predicted failure times based on variation of eleven unique and fundamental material properties. We observed particularly strong sensitivities to the diffusion coefficient, the reaction rate, and the shrinkage with degradation. Also, the predicted time of first fracture is highly correlated with the time to total failure in compression, which implies fracture can indicate impending degradation induced failure; however, the distributions of the two events overlap so the lead time may be minimal. Extension of the model to include the multiple reactions that describe complete degradation, viscous relaxation, post-peak load mechanisms, and to three dimensions to explore the interactions of complex fracture patterns evoked by more realistic geometry is straightforward and ongoing.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A vortex sheet based analytical model of the curled wake behind yawed wind turbines

Motivated by the need for compact descriptions of the evolution of non-classical wakes behind yawed wind turbines, we develop an analytical model to predict the shape of curled wakes. Interest in such modelling arises due to the potential of wake steering as a strategy for mitigating power reduction and unsteady loading of downstream turbines in wind farms. We first estimate the distribution of the shed vorticity at the wake edge due to both yaw offset and rotating blades. By considering the wake edge as an ideally thin vortex sheet, we describe its evolution in time moving with the flow. Vortex sheet equations are solved using a power series expansion method, and an approximate solution for the wake shape is obtained. The vortex sheet time evolution is then mapped into a spatial evolution by using a convection velocity. Apart from the wake shape, the lateral deflection of the wake including ground effects is modelled. Our results show that there exists a universal solution for the shape of curled wakes if suitable dimensionless variables are employed. For the case of turbulent boundary layer inflow, the decay of vortex sheet circulation due to turbulent diffusion is included. Finally, we modify the Gaussian wake model by incorporating the predicted shape and deflection of the curled wake, so that we can calculate the wake profiles behind yawed turbines. Model predictions are validated against large-eddy simulations and laboratory experiments for turbines with various operating conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Understanding the mechanisms of amorphous creep through molecular simulation

Significance The individual and collective molecular displacements in an amorphous solid undergoing plastic deformation are simulated by an atomistic method that allows incremental motions to be observed over a time window of fractions of seconds. Because the timescale matches well with the conditions of experimental measurements, simulation details provide dynamical evidence for the fundamental mechanisms of amorphous creep. In particular, knowledge of the interplay between diffusion (flow) and mechanical deformation processes enables us to explain the stress and temperature behavior of the experimental data as well as the validity of model descriptions of molecular mechanisms in terms of spatially and temporally heterogeneous fluctuations.

42 ENGINEERING↗