Search NASA⌕ Search

SEARCH · Search NASA

Results for “Diffusion equations”

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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Second-order discretization in space and time for radiation hydrodynamics

We present a method for solving the equations of radiation hydrodynamics that is second-order accurate in space and time. This method combines the MUSCL-Hancock method for solving the Euler equations with the TR/BDF2 scheme in time for solving the equations of radiative transfer. We use an LDFEM to discretize the radiative transfer equations in space, which, though uncommon for radiation diffusion calculations, is a standard for radiation transport applications. We address the challenges inherent to using different spatial discretizations for the hydrodynamics and radiation and demonstrate how these may be overcome. We define our method for a 1-D model of compressible fluid dynamics coupled with grey radiation diffusion. Using the method of manufactured solutions, we show that the method is second-order accurate in space and time for both the equilibrium diffusion and streaming limit. (authors)

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

A stabilized Runge–Kutta–Legendre method for explicit super-time-stepping of parabolic and mixed equations

Parabolic partial differential equations appear in several physical problems, including problems that have a dominant hyperbolic part coupled to a sub-dominant parabolic component. Explicit methods for their solution are easy to implement but have very restrictive time step constraints. Implicit solution methods can be unconditionally stable but have the disadvantage of being computationally costly or difficult to implement. Super-time-stepping methods for treating parabolic terms in mixed type partial differential equations occupy an intermediate position. In such methods each superstep takes “s” explicit Runge–Kutta-like time-steps to advance the parabolic terms by a time-step that is s{sup 2} times larger than a single explicit time-step. The expanded stability is usually obtained by mapping the short recursion relation of the explicit Runge–Kutta scheme to the recursion relation of some well-known, stable polynomial. Prior work has built temporally first- and second-order accurate super-time-stepping methods around the recursion relation associated with Chebyshev polynomials. Since their stability is based on the boundedness of the Chebyshev polynomials, these methods have been called RKC1 and RKC2. In this work we build temporally first- and second-order accurate super-time-stepping methods around the recursion relation associated with Legendre polynomials. We call these methods RKL1 and RKL2. The RKL1 method is first-order accurate in time; the RKL2 method is second-order accurate in time. We verify that the newly-designed RKL1 and RKL2 schemes have a very desirable monotonicity preserving property for one-dimensional problems – a solution that is monotone at the beginning of a time step retains that property at the end of that time step. It is shown that RKL1 and RKL2 methods are stable for all values of the diffusion coefficient up to the maximum value. We call this a convex monotonicity preserving property and show by examples that it is very useful in parabolic problems with variable diffusion coefficients. This includes variable coefficient parabolic equations that might give rise to skew symmetric terms. The RKC1 and RKC2 schemes do not share this convex monotonicity preserving property. One-dimensional and two-dimensional von Neumann stability analyses of RKC1, RKC2, RKL1 and RKL2 are also presented, showing that the latter two have some advantages. The paper includes several details to facilitate implementation. A detailed accuracy analysis is presented to show that the methods reach their design accuracies. A stringent set of test problems is also presented. To demonstrate the robustness and versatility of our methods, we show their successful operation on problems involving linear and non-linear heat conduction and viscosity, resistive magnetohydrodynamics, ambipolar diffusion dominated magnetohydrodynamics, level set methods and flux limited radiation diffusion. In a prior paper (Meyer, Balsara and Aslam 2012 [36]) we have also presented an extensive test-suite showing that the RKL2 method works robustly in the presence of shocks in an anisotropically conducting, magnetized plasma.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Development of a Physical-Topological Model for the Response of a High-Power Vertical DMOS Transistor to the Effect of Pulsed Gamma-Radiation

A method for developing models of semiconductor devices with two-dimensional nonuniform concentration profiles of donors and acceptors in working regions of a semiconductor device structure is for the first time proposed based on a complex of physical-topological modeling of charge carrier transport and process simulation of the forming processes of the device structure. The application of process simulation is due to the need to correctly define the parameters of the semiconductor device structure, which are used as initial data to calculate the electron transport according to the physical-topological model. The parameters of production processes of ion implantation, diffusion, and lithography, which were refined during process simulation, are determined for a high-power metal—oxide—semiconductor (MOS) transistor forming by the double diffusion method in accordance with known electrical characteristics and measured geometrical sizes of the structure. This results in two-dimensional distribution profiles of donors and acceptors in p–n junctions necessary to calculate the transistor breakdown under the effect of pulsed γ radiation. Breakdown processes are modeled with the help of the physical-topological model based on the Poisson and continuity equations as well as expressions for the diffusion and drift current densities in the transistor. Accounting for carriers formed at the instant of γ irradiation is implemented by the introduction of the dependence of the generation coefficient of electron–hole pairs on the radiation-dose power. The results of calculations correlate well with the experimental data, which makes it possible to give a conclusion regarding the adequacy of the proposed complex model.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Learning and meta-learning of stochastic advection–diffusion–reaction systems from sparse measurements

Physics-informed neural networks (PINNs) were recently proposed in [18] as an alternative way to solve partial differential equations (PDEs). A neural network (NN) represents the solution, while a PDE-induced NN is coupled to the solution NN, and all differential operators are treated using automatic differentiation. Here, we first employ the standard PINN and a stochastic version, sPINN, to solve forward and inverse problems governed by a non-linear advection–diffusion–reaction (ADR) equation, assuming we have some sparse measurements of the concentration field at random or pre-selected locations. Subsequently, we attempt to optimise the hyper-parameters of sPINN by using the Bayesian optimisation method (meta-learning) and compare the results with the empirically selected hyper-parameters of sPINN. In particular, for the first part in solving the inverse deterministic ADR, we assume that we only have a few high-fidelity measurements, whereas the rest of the data is of lower fidelity. Hence, the PINN is trained using a composite multi-fidelity network, first introduced in [12], that learns the correlations between the multi-fidelity data and predicts the unknown values of diffusivity, transport velocity and two reaction constants as well as the concentration field. For the stochastic ADR, we employ a Karhunen–Loève (KL) expansion to represent the stochastic diffusivity, and arbitrary polynomial chaos (aPC) to represent the stochastic solution. Correspondingly, we design multiple NNs to represent the mean of the solution and learn each aPC mode separately, whereas we employ a separate NN to represent the mean of diffusivity and another NN to learn all modes of the KL expansion. For the inverse problem, in addition to stochastic diffusivity and concentration fields, we also aim to obtain the (unknown) deterministic values of transport velocity and reaction constants. The available data correspond to 7spatial points for the diffusivity and 20 space–time points for the solution, both sampled 2000 times. We obtain good accuracy for the deterministic parameters of the order of 1–2% and excellent accuracy for the mean and variance of the stochastic fields, better than three digits of accuracy. In the second part, we consider the previous stochastic inverse problem, and we use Bayesian optimisation to find five hyper-parameters of sPINN, namely the width, depth and learning rate of two NNs for learning the modes. Here, we obtain much deeper and wider optimal NNs compared to the manual tuning, leading to even better accuracy, i.e., errors less than 1% for the deterministic values, and about an order of magnitude less for the stochastic fields.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Investigation of core transport changes in DIII-D discharges with off-axis T e profile peaks

Abstract DIII-D discharges that transition to H-mode solely with off-axis electron cyclotron heating (ECH) often exhibit strong off-axis peaking of electron temperature profiles at the heating location. Electron heat transport properties near these off-axis temperature peaks have been studied using modulated ECH. The Fourier analyzed electron temperature data have been used to infer electron thermal diffusivity. Comparisons with numerical solutions of the time-dependent electron thermal equation find that the data are consistent with a narrow region with electron diffusivity χ e an order of magnitude lower than the average value across the plasma, suggesting an electron internal transport barrier (ITB) near the ECH heating location. Detailed profile analysis and equilibrium reconstructions suggest that the formation of these ITBs are correlated with off-axis values of the safety factor q being near 1. Furthermore, the ECH driven H-mode discharges demonstrate more rapid electron heating rate near the ECH deposition location than L-mode discharges with higher auxiliary ECH heating power. Additional modeling attributes this difference to the modification of electron heat transport in the core at the L-H transition, which also sustains the off-axis electron temperature peaks.

Physics↗
DOE OSTI2013

NUMERICAL ANALYSIS OF THE FOKKER-PLANCK EQUATION WITH ADIABATIC FOCUSING: ISOTROPIC PITCH-ANGLE SCATTERING

We present numerical solutions to both the standard and modified two-dimensional Fokker-Planck equations with adiabatic focusing and isotropic pitch-angle scattering. With the numerical solution of the particle distribution function, we then discuss the related numerical issues, calculate the parallel diffusion coefficient using several different methods, and compare our numerical solutions for the parallel diffusion coefficient to the analytical forms derived earlier. We find the numerical solution to the diffusion coefficient for both the standard and modified Fokker-Planck equations agrees with that of Shalchi for the mean squared displacement method of computing the diffusion coefficient. However, we also show the numerical solution agrees with that of Litvinenko and Shalchi and Danos when calculating the diffusion coefficient via the velocity correlation function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1989

Interpretation and modeling of the averaged equations for a fluid-solid flow

A self-consistent derivation of the conservation laws is given for flows of a fluid-solid mixture. A unified analytical framework for obtaining constitutive relations is provided. This analysis uses a control volume/control surface approach that is widely used in fluid mechanics. All terms in the governing equations and the constitutive relations are written in terms of the mass-weighted averages except solid concentration. It is believed that the mass-weighted average is the natural bridge between micromechanics and constitutive relations. The derived momentum equations contain terms that differ from all existing models except that of Prosperetti and Jones (1984). However, their assumptions are not needed here. Special attention is given to the solid phase pressure. The physical basis of the previously assumed form for this pressure (Givler 1987) becomes clear. A number of related phenomena are also discussed. These include the anti-diffusion and anisotropic normal stresses. The energy equations are also different from existing models.

Shen, Hayley H.↗
NASA NTRS1976

The ionization of a low-density intercloud medium by a single O star

The ionization structure of hydrogen in a cloud-containing low-density gas surrounding an O star is calculated, emphasizing how UV photons cause the ionization of hydrogen in regions which are totally obscured from the star by neutral clouds. Particular consideration is given to the ionization of such obscured regions by diffuse Lyman continuum radiation produced when H(+) recombines directly to the ground state. The assumed physical structure of the cloud-containing neighborhood of an O star is discussed, a method is outlined for expressing the emission and absorption properties of the neutral clouds and their shadows in terms of effective volume emissivities and absorption coefficients on a line of sight, and equations of radiative transfer are derived for diffuse and stellar radiation in a cloud-containing H II region. Reradiation of Lyman continuum photons from the ionized boundary layer of a neutral cloud or shadow is analyzed. The expected emission measure across a large cloud-containing H II region is determined and found to compare well with that obtained from observations of H-alpha emission around runaway O stars. It is shown that the hydrogen in cloud shadows may be completely ionized by diffuse radiation within approximately half the Stroemgren radius, depending on the extent of that radius, the average frequency of the Lyman continuum radiation from the star, and the average cloud size.

Elmegreen, B. G.↗
NASA NTRS1996

A Systematic Solution Approach for Neutron Transport Problems in Diffuse Regimes

A systematic solution approach for the neutron transport equation, based on a least-squares finite-element discretization, is presented. This approach includes the theory for the existence and uniqueness of the analytical as well as of the discrete solution, bounds for the discretization error, and guidance for the development of an efficient multigrid solver for the resulting discrete problem. To guarantee the accuracy of the discrete solution for diffusive regimes, a scaling transformation is applied to the transport operator prior to the discretization. The key result is the proof of the V-ellipticity and continuity of the scaled least-squares bilinear form with constants that are independent of the total cross section and the absorption cross section. For a variety of least-squares finite-element discretizations this leads to error bounds that remain valid in diffusive regimes. Moreover, for problems in slab geometry a full multigrid solver is presented with V(1, 1)-cycle convergence rates approximately equal to 0.1, independent of the size of the total cross section and the absorption cross section.

Manteuffel, T. A.↗
DOE OSTI2025

Unraveling the Determinant Mechanisms in Flow-Mediated Crystal Growth and Phase Behaviors

To uncover the critical mechanisms responsible for mesoscopic level development during flow-mediated crystal growth, we develop a semi-two-way hydrodynamic coupled structural phase-field crystal formalism (HXPFC-s2). The new formalism, inspired by previous attempts at coupling hydrodynamic and phase-field crystal (PFC) equations, allows for studying mesoscopic flow-mediated crystallization at diffusive timescales pertinent to industrial applications. Unlike previous efforts, the devised coupling to the structural PFC (XPFC) equations allows generalization to more complex crystal structures through explicit parameterization of the direct correlation function (DCF). Utilizing the HXPFC-s2 formalism, we seek to uncover the determinant physical mechanisms in crystallization under simple shear flows by comparing temperature-driven crystallization to flow-mediated crystallization under varying flow-strengths. Parallels and deviations of under-cooling and flow-strength effects on crystal growth are drawn using the crystal cluster-size and system ordering time evolutions. In doing so, we identify scaling behaviors with a Peclet-like number, Pe∼, a critical Peclet-like number, Pe∼*, and flow-field-crystal plane-dependent interactions. Our findings may be relevant for controlling crystal growth and phase behaviors in flow applications.

Willis, L. Connor (ORCID:0009000961321848)↗
DOE OSTI2019

Diffusion-limited relic particle production

We examine the thermal evolution of particle number densities in the early universe when the particles have a finite diffusion length. Assuming that annihilations are impossible when the mean separation of the particles is larger than their diffusion length, we derive a version of the Boltzmann equation for freeze out in this scenario and an approximate solution, accurate to better than 2%. The effect of a finite diffusion length is to increase the final relic freeze-out abundance over its corresponding value when diffusion effects are ignored. When diffusion is limited only by scattering off of the thermal background, and the annihilation cross section is bounded by unitarity, a significant effect on the freeze-out abundance requires a scattering cross section much larger than the annihilation cross section. A similar effect is demonstrated when the relic particles are produced via the freeze-in mechanism, but in this case the finite diffusion length is due to the scattering of particles that annihilate into the relic particle of interest. For freeze in, the effect of a finite diffusion length is to reduce the final relic particle abundance. The effects of a finite diffusion length are most important when the scattering cross section or the relic mass are very large. While we have not found a particularly compelling example where this would affect previous results, with the current interest in new dark matter candidates it could become an important consideration.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1969

Diffusion of rays in random media.

Fokker-Planck equation applied to probability density for finding rays larger than correlation distance during propagation in random medium

Liu, C. H.↗
DOE OSTI2020

Dissolution of a cylindrical disk in Hele-Shaw flow: a conformal-mapping approach

Here we apply conformal mapping to find the evolving shapes of a dissolving cylinder in a potential flow. Similar equations can be used to describe melting in a flowing liquid phase. Results are compared with microfluidic experiments and numerical simulations. Shapes predicted by conformal mapping agree almost perfectly with experimental observations, after a modest (20 %) rescaling of the time. Finite-volume simulations show that the differences with experiment are connected to the underlying assumptions of the analytical model: potential flow and diffusion-limited dissolution. Approximate solutions of the equations describing the evolution of the shape of the undissolved solid can be derived from a Laurent expansion of the mapping function from the unit circle. Asymptotic expressions for the evolution of the area of the disk and the shift in its centre of mass have been derived at low and high Péclet number. Analytic approximations to the leading-order Laurent coefficients provide additional insight into the mechanisms underlying pore-scale dissolution.

58 GEOSCIENCES↗
DOE OSTI2017

Diffusion quantum Monte Carlo calculations of SrFeO 3 and LaFeO 3

The equations of state, formation energy, and migration energy barrier of the oxygen vacancy in SrFeO 3 and LaFeO 3 were calculated in this paper with the diffusion quantum Monte Carlo (DMC) method. Calculations were also performed with various Density Functional Theory (DFT) approximations for comparison. DMC reproduces the measured cohesive energies of these materials with errors below 0.23(5) eV and the structural properties within 1% of the experimental values. The DMC formation energies of the oxygen vacancy in SrFeO 3 and LaFeO 3 under oxygen-rich conditions are 1.3(1) and 6.24(7) eV, respectively. Similar calculations with semi-local DFT approximations for LaFeO 3 yielded vacancy formation energies 1.5 eV lower. Comparison of charge density evaluated with DMC and DFT approximations shows that DFT tends to overdelocalize the electrons in defected SrFeO 3 and LaFeO 3 . Finally, calculations with DMC and local density approximation yield similar vacancy migration energy barriers, indicating that steric/electrostatic effects mainly determine migration barriers in these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Square Turing patterns in reaction-diffusion systems with coupled layers

Square Turing patterns are usually unstable in reaction-diffusion systems and are rarely observed in corresponding experiments and simulations. We report here an example of spontaneous formation of square Turing patterns with the Lengyel-Epstein model of two coupled layers. The squares are found to be a result of the resonance between two supercritical Turing modes with an appropriate ratio. Besides, the spatiotemporal resonance of Turing modes resembles to the mode-locking phenomenon. Analysis of the general amplitude equations for square patterns reveals that the fixed point corresponding to square Turing patterns is stationary when the parameters adopt appropriate values.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Influences of carrier diffusion and radial mode field pattern on high speed characteristics for microring lasers

High-speed directly modulated microlasers are potential light sources for on-chip optical interconnection and photonic integrated circuits. In this Letter, dynamic characteristics are studied for microring lasers by rate equation analysis considering radial carrier hole burning and diffusion and experimentally. The coupled modes with a wide radial field pattern and the injection current focused in the edge area of microring resonator can greatly improve the high speed response curve due to the less carrier hole burning. The small-signal response curves of a microring laser connected with an output waveguide exhibit a larger 3 dB bandwidth and smaller roll-off at low frequency than that of the microdisk laser with the same radius of 15 μm, which accords with the simulation results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗