Search NASA⌕ Search

SEARCH · Search NASA

Results for “Strongly inhomogeneous diffusivity”

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.

16 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A finite difference informed random walker (FDiRW) solver for strongly inhomogeneous diffusion problems

In nature, many complex multi-physics coupling problems exhibit strong diffusivity inhomogeneity. For instance, in the context of radionuclide absorption by porous wasteform materials within a flowing waste stream, the difference of species’ diffusivity in solid and liquid phases spans by 3~8 orders of magnitude. To solve the diffusion equations with strongly inhomogeneous diffusivity, traditional discretization-based methods, such as the Finite Difference Method (FDM), require infinitesimally small time steps (<10 -10 ) as high spatial resolutions are employed in most microstructure evolution processes, leading to prohibitively high computational costs. Here, this work developed an integrated numerical approach (FDiRW: Finite Difference informed Random Walk) to tackle this challenge. The idea is that utilizing the Random Walk concept, the fast diffusion is modeled as a superposition of point source’s solution for a concentration distribution while FDM is used to obtain the point source’s solution at each node. A mesh-coarsening algorithm is developed to generate an exclusive coarse mesh for FDiRW approach to maximize its efficiency. The effectiveness of the coarse mesh-based FDiRW approach is validated by benchmarking Finite Difference solutions. Numerical results demonstrated that FDiRW achieves a remarkable 1000x computational efficiency improvement over FDM while preserving desired accuracy for a medium-sized model of 192 × 192 × 192 grids. Finally, as models scale up, a floating-point operations (PLOPs) analysis of the FDiRW algorithm reveals that its computational complexity grows quadratically in terms of the number of nodes employed in computation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Finite Difference informed Random Walk solver for simulating radiation defect evolution in polycrystalline structures with strongly inhomogeneous diffusivity

Diffusivity of species and defects on grain boundaries is usually several orders of magnitude larger than that inside grains. Such strongly inhomogeneous diffusivity requires prohibitively high computational demands for modeling microstructural evolution. Here, this paper presents a highly-efficient numerical solver, combining the Finite Difference method and Random Walk model, designed for accurately modeling strongly inhomogeneous diffusion within polycrystalline structures. The proposed solver, termed Finite Difference informed Random Walk (FDiRW), integrates a customized Finite Difference (cFD) scheme tailored for fast diffusion along thin grain boundaries represented by a single-layer of nodes. Numerical experiments demonstrate that the FDiRW solver achieves an impressive efficiency gain of 1560x compared to traditional Finite Difference methods while maintaining accuracy, making it feasible for personal computer machines to handle diffusional systems with strongly inhomogeneous diffusivity across static polycrystalline microstructures. The model has been successfully applied to simulate radiation defect evolution, showcasing its scalability to engineering scales in both length and time dimensions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A GPU Accelerated Mixed‐Precision Finite Difference Informed Random Walker (FDiRW) Solver for Strongly Inhomogeneous Diffusion Problems

In nature, many complex multi‐physics coupling problems exhibit significant diffusivity inhomogeneity, where one process occurs several orders of magnitude faster than others temporally. Simulating rapid diffusion alongside slower processes demands intensive computational resources due to the necessity for small time steps. To address these computational challenges, we have developed an efficient numerical solver named Finite Difference informed Random Walker (FDiRW). In this study, we propose a GPU‐accelerated, mixed‐precision configuration for the FDiRW solver to maximize efficiency through GPU multi‐threaded parallel computation and lower precision computation. Numerical evaluation results reveal that the proposed GPU‐accelerated mixed‐precision FDiRW solver can achieve a 117× speedup over the CPU baseline, while an additional 1.75× speedup is achieved by employing lower precision GPU computation. Notably, for large model sizes, the GPU‐accelerated mixed‐precision FDiRW solver demonstrates strong scaling with the number of nodes used in simulation. When simulating radionuclide absorption processes by porous wasteform particles with a medium‐sized model of 192 × 192 × 192, this approach reduces the total computational time to 10 min, enabling the simulation of larger systems with strongly inhomogeneous diffusivity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Solute diffusion behavior during heat treatment and its impact in Sc-microalloyed Al-Cu system

Scandium (Sc) is a promising microalloying element that enhances the strength and thermal stability of aluminum (Al) alloys. However, these benefits are not fully realized in aluminum-copper (Al-Cu) systems, and corrosion resistance often declines due to the complex phase evolution and diffusion behavior of Cu and Sc. Here, to clarify this, solute diffusion behavior and Cu-Sc interaction during heat treatment (HT) were investigated using in situ synchrotron-based transmission x-ray microscopy (TXM), wide-angle x-ray scattering (WAXS), and x-ray absorption near-edge structure (XANES) spectroscopy. The results, supported by electron microscopy, reveal strong Cu-Sc bonding that significantly impedes solute diffusion, leading to inhomogeneous solute distribution and non-uniform precipitation. Moreover, the Al-Cu-Sc eutectic phase exhibits high thermal stability, resisting dissolution even near the matrix liquidus. These findings quantitatively elucidate the sluggish diffusion kinetics of Cu and Sc, which can help redesign HT schedules to improve both mechanical properties and corrosion resistance in Sc-microalloyed Al-Cu alloys.

36 MATERIALS SCIENCE↗
NASA NTRS2001

Theory and Simulation of Self- and Mutual-Diffusion of Carrier Density and Temperature in Semiconductor Lasers

Carrier diffusion and thermal conduction play a fundamental role in the operation of high-power, broad-area semiconductor lasers. Restricted geometry, high pumping level and dynamic instability lead to inhomogeneous spatial distribution of plasma density, temperature, as well as light field, due to strong light-matter interaction. Thus, modeling and simulation of such optoelectronic devices rely on detailed descriptions of carrier dynamics and energy transport in the system. A self-consistent description of lasing and heating in large-aperture, inhomogeneous edge- or surface-emitting lasers (VCSELs) require coupled diffusion equations for carrier density and temperature. In this paper, we derive such equations from the Boltzmann transport equation for the carrier distributions. The derived self- and mutual-diffusion coefficients are in general nonlinear functions of carrier density and temperature including many-body interactions. We study the effects of many-body interactions on these coefficients, as well as the nonlinearity of these coefficients for large-area VCSELs. The effects of mutual diffusions on carrier and temperature distributions in gain-guided VCSELs will be also presented.

Li, Jian-Zhong↗
DOE OSTI2025

Probing exciton diffusion dynamics in photosynthetic supercomplexes via exciton–exciton annihilation

Photosynthesis converts solar energy into chemical energy through coordinated energy transfer between light-harvesting complexes and reaction centers (RCs). Understanding exciton motion, particularly the exciton diffusion length, is essential for optimizing energy efficiency in photosystems. In this work, we combine intensity-cycling transient absorption spectroscopy with kinetic Monte Carlo (kMC) simulation to investigate exciton motion in the C2S2 photosystem II supercomplex of spinach. Using exciton–exciton annihilation, revealed in the fifth-order response, we experimentally estimate an exciton diffusion length of 10.9 nm based on a 3D normal diffusion model, suggesting the ability of excitons to traverse the supercomplex. However, kMC simulations reveal that exciton motion is sub-diffusive because of spatial constraints and the strong RC traps. An anomalous diffusion model analysis of the experimental data yields a diffusion length of 9.7 nm, while the simulated diffusion length is 7.4 nm. The variable exciton residence time across subunits, partly influenced by their connectivity to the trap, indicates inhomogeneous annihilation probability and suggests how plants balance efficient light harvesting with photoprotection. We also explore the influence of specific assumptions in the annihilation simulation, which are challenging to access in more complex environments, such as the thylakoid membrane. Our study provides a framework for studying exciton dynamics using exciton–exciton annihilation, which can be extended to understand the light-harvesting efficiencies of larger, more complex photosynthetic assemblies.

Zhang, Kunyan (ORCID:000000026830409X)↗
NASA NTRS2004

Magnetohydrodynamic and Paramagnetic Phenomena in Electrochemistry with Diamagnetic and Ferromagnetic Millielectrodes

There are three kinds of body forces operating in electrolytic solutions in the magnetic field: the magnetohydrodynamic force F(sub B) (=i x B), the F(sub delB) force (approximately B(raised dot)gradB) and the F(sub delC) force (approximately |B|(sup 2)gradC). These three forces manifest themselves differently, depending on the experimental conditions. Thus, diamagnetic disc millielectrodes (e.g., Au) with their plane parallel to the flux density of the homogeneous magnetic field of an electromagnet yield convective behavior analogous to that observed with rotating electrodes; that response is controlled by F(sub B). The same electrodes placed in the inhomogeneous field of a strong permanent magnet yield also convective behavior that is controlled by both F(sub B) and F(sub delB). Finally, similarly sized millielectrodes made of permanent magnets (e.g., Au-coated Nd-Fe-B discs) yield diffusion-controlled behavior at conditions where a gold disc electrode shows behavior dominated by density gradient driven natural convection; in this case the predominant forces are both F(sub delB) and F(sub delC). Under open circuit conditions, ferromagnetic (i.e., magnetizable) millielectrodes (Co, Fe, Ni) dipped in corrosive solutions and placed in homogeneous magnetic fields yield mass-transfer phenomena that seem to be controlled by magnetophoresis.

Leventis, Nicholas↗
NASA NTRS2005

A Starfish Preplanetary Nebula: IRAS 19024+0044

Using the Hubble Space Telescope, we have imaged the OH/IR star IRAS 19024+0044 (I19024) at 0.6, 0.8, 1.1, and 1.6 micrometers, as part of our surveys of candidate preplanetary nebulae. The images show a multipolar nebula of size approximately equal to 3.'7 2.'3, with at least six elongated lobes emanating from the center of the nebula. Two of the lobes show limb-brightened tips having point-symmetric structure with respect to the expected location of the central star. The central region shows two dark bands southwest and northeast of a central shallow maximum that may be either two inclined dusty toroidal structures or the dense parts of a single wide, inhomogeneous, toroid. Avery faint, surface brightness-limited, diffuse halo surrounds the lobes. Long-slit/echelle optical spectroscopy obtained at the Mount Palomar and Keck observatories shows a spatially compact source of H(alpha) emission; the H(alpha) line shows a strong, narrow, central core with very broad (+/-1000 km/sec), weak wings, and a narrower blueshifted absorption feature signifying the presence of an approximately 100 km/sec(exp -1) outflow. The spectrum is characterized by a strong, relatively featureless, continuum and lacks the strong forbidden emission lines characteristic of planetary nebulae, confirming that IRAS 19024 is a preplanetary nebula; the spectral type for the central star, although uncertain, is most likely early G. Interferometric observations of the CO J = 1 -0 line emission with the Owens Valley Radio Interferometer show a marginally resolved molecular envelope (size 5.'5 x 4.'4) with an expansion velocity of 13 km/sec (exp -1), resulting from the asymptotic giant branch (AGB) progenitor's dense, slow wind. We derive a kinematic distance of 3.5 kpc to I19024, based on its radial velocity. The bolometric flux is 7:3 x 10(exp -9) erg s(exp -1) cm(exp -2), and the luminosity 2850 L. The relatively low luminosity of I19024, in comparison with stellar evolutionary models, indicates that the initial mass of its central star was approximately 1-1.5 solar mass. The lobes, which appear to be hollow structures with dense walls, have a total mass greater than or equal to about 0.02 solar mass. The lobes, which appear to be hollow structures with dense walls, have a total mass greater than or equal to about 0.02 solar mass. The dusty tori in the center have masses of a few times 10(exp -3) solar mass. The faint halo has a power-law radial surface brightness profile with an exponent of about -3 and most likely represents the remnant spherical circumstellar envelope formed as a result of constant mass loss during the AGB expansion age of less than or approximately equal to 2870 yr, giving a mass-loss rate of greater than or approximately equal to 10(exp -5) solar mass yr (exp -1), The far-infrared fluxes of I19024 indicate the presence of a large mass of cool dust in the nebula, from a simple model we infer the presence of 'cool' (109 K) and 'warm' (280 K) components of dust mass 5.7 x 10(exp -4) and 1.5 x 10(exp -7) solar mass. We discuss our results for I19024 in the light of past and current ideas for the dramatic transformation of the morphology and kinematics of mass-ejecta as AGB stars evolve into planetary nebulae.

circumstellar matter↗
NASA NTRS1975

The effect of adiabatic focusing upon charged particle propagation in random magnetic fields

This paper describes the effects of strong adiabatic focusing in terms of eigenfunctions of an operator which incorporates both scattering by random fields and focusing by a spatially inhomogeneous guiding field. It is found that focused transport differs from rectilinear transport in the following ways: (1) the coherent velocity toward stronger fields is larger than that toward weaker fields; (2) coherent effects are more prominent relative to diffusive effects when focusing is present; and (3) initial anisotropies at injection have a minimal influence upon rectilinear transport but they have a pronounced effect on focused transport. These features explain certain well-known discrepancies between the diffusive picture and the observed profiles of solar particle events. In particular, they explain the so-called scatter-free propagation of kilovolt flare electrons.

Earl, J. A.↗
NASA NTRS1978

The kinetic effects of Alfven wave pressure in the solar wind

The results of a kinetic model for the radial evolution of the proton component of the solar wind in the presence of Alfven waves are presented. The calculation is based on general quasi-linear equations developed to describe the temporal and spatial evolution of the ion distribution functions of a multispecies plasma in presence of waves, using a short wavelength expansion. These equations include new wave-particle interaction terms arising from temporal and spatial inhomogeneities in the plasma. Numerical solutions are obtained of these equations specialized to the case of Alfven waves in a spherically symmetric solar wind. The Alfven wave effects on the proton distribution function vary strongly in velocity space. Protons with small transverse velocities are primarily decelerated with respect to the wave rest frame. This deceleration becomes less important with increasing transverse velocity, as wave induced diffusion to larger transverse velocity becomes the dominant effect. The competition of these effects results in interesting distortions of evolving proton distribution functions which give rise the wave acceleration well known from fluid theory.

Goodrich, C. C.↗
NASA NTRS1975

The effect of adiabatic focusing upon charged particle propagation in random magnetic fields

Charged particles propagating along the diverging lines of force of a spatially inhomogeneous guiding field were considered as they are scattered by random fields. Their longitudinal transport is described in terms of the eigenfunctions of a Sturm-Liouville operator incorporating the effect of adiabatic focussing along with that of scattering. The relaxation times and characteristic velocities are graphed and tabulated. The particle density is evaluated as a function of space and time for two different regimes. In the first regime (relatively weak focussing), a diffusive mode of propagation is dominant but coherent modes are also dominant. In the second regime (strong focussing), diffusion does not occur and the propagation is purely coherent. This supercoherent mode corresponds exactly to the so-called scatter-free propagation of kilovolt solar flare electrons. On a larger scale, focussed transport provides an interpretation of many observed characteristics of extragalactic radio sources.

Earl, J. A.↗
NASA NTRS1976

Nondiffusive propagation of cosmic rays in the solar system and in extragalactic radio sources

If charged particles are scattered by random magnetic fields while they propagate along the diverging lines of force of a spatially inhomogeneous guiding field, the diffusive mode of transport, which occurs when adiabatic focusing is weak compared to scattering, gives way to novel coherent modes when focusing becomes dominant. This paper begins with a nonmathematical discussion of the higher-order transport phenomena that underlie these modes, and goes on to explore some astrophysical implications of their existence. In an interplanetary context, one of the new modes, the supercoherent mode, corresponds exactly to the 'scatter-free' propagation of kilovolt solar-flare electrons. Moreover, quasi-diffusive propagation in the presence of moderately strong focusing offers an explanation of several poorly understood aspects of solar cosmic-ray events. On a much larger scale, focused transport provides an interpretation of many observed characteristics of extragalactic radio sources. In particular, their double structure is explained in terms of basic transport phenomena.

Earl, J. A.↗
NASA NTRS1976

The effect of adiabatic focusing upon charged-particle propagation in random magnetic fields

The charged particles considered are scattered by random fields while they propagate along the diverging lines of force of a spatially inhomogeneous guiding field. Their longitudinal transport is described in terms of the eigenfunctions of a Sturm-Liouville operator which incorporates the effect of adiabatic focusing along with that of scattering. The relaxation times and characteristic velocities which appear in this matrix formulation of the transport problem are graphed and tabulated. Explicit formulas which describe the particle-density profile that results from a localized impulsive injection are derived for two different regimes. In the first regime, where focusing is relatively weak, a diffusive mode of propagation is dominant, but coherent modes are also present, and they become prominent as the intensity of focusing increases. In the second regime, where focusing is strong and where diffusion does not occur, the propagation is purely coherent. The existence of this supercoherent mode of particle transport opens up many possibilities for the interpretation of astrophysical phenomena.

Earl, J. A.↗
DOE OSTI2025

Cosmic-ray transport in inhomogeneous media

A theory of cosmic-ray transport in multiphase diffusive media is developed, with the specific application to cases in which the cosmic-ray diffusion coefficient has large spatial fluctuations that may be inherently multiscale. We demonstrate that the resulting transport of cosmic rays is diffusive in the long-time limit, with an average diffusion coefficient equal to the harmonic mean of the spatially varying diffusion coefficient. Thus, cosmic-ray transport is dominated by areas of low diffusion even if these areas occupy a relatively small, but not infinitesimal, fraction of the volume. On intermediate time-scales, the cosmic rays experience transient effective subdiffusion, as a result of low-diffusion regions interrupting long flights through high-diffusion regions. In the simplified case of a two-phase medium, we show that the extent and extremity of the subdiffusivity of cosmic-ray transport is controlled by the spectral exponent of the distribution of patch sizes of each of the phases. We finally show that, despite strongly influencing the confinement times, the multiphase medium is only capable of altering the energy dependence of cosmic-ray transport when there is a moderate (but not excessive) level of perpendicular diffusion across magnetic-field lines.

Astronomy and Astrophysics↗
DOE OSTI2025

Cluster spin glass correlations and dynamics in Zn 0.5⁢ Mn 0.5⁢ Te

Here, we present a combined magnetometry, muon spin-relaxation (𝜇⁢SR), and neutron-scattering study of the insulating spin glass Zn 0.5 ⁢Mn 0.5 ⁢Te, for which magnetic Mn 2+ and nonmagnetic Zn 2+ ions are randomly distributed on a face-centered cubic lattice. The magnetometry and 𝜇⁢SR results confirm a spin freezing transition around 𝑇 𝑓 ≈ 23 K, with the spin-fluctuation rate decreasing gradually and somewhat inhomogeneously through the sample volume as the temperature decreases toward 𝑇 𝑓 . Characteristic spin-correlation times well above 𝑇 𝑓 are on the order of 10 −10 s, much slower than typically observed in canonical spin glasses but in line with expectations for a cluster spin glass. Using magnetic pair distribution function (mPDF) analysis and reverse Monte Carlo (RMC) modeling of the magnetic diffuse neutron-scattering data, we show that the spin-glass ground state consists of clusters of spins exhibiting short-range-ordered type-III antiferromagnetic correlations with a locally ordered moment of 3.1⁢(1)⁢𝜇 B between nearest-neighbor spins. The type-III correlations decay exponentially as a function of spin separation distance with a correlation length of approximately 5 Å. The diffuse magnetic scattering and corresponding mPDF show no significant changes across 𝑇 𝑓 , indicating that the dynamically fluctuating short-range spin correlations in the paramagnetic state retain the same basic type-III configuration that characterizes the spin-glass state; the only change apparent from the neutron-scattering data is a gradual reduction of the correlation length and locally ordered moment with increasing temperature. Taken together, these results paint a unique and detailed picture of the local magnetic structure and dynamics in Zn 0.5 ⁢Mn 0.5⁢ Te and provide strong evidence that this material is best described as a cluster spin glass. In addition, this work showcases a statistical method for extracting diffuse scattering signals from neutron powder diffraction data, which we developed to facilitate the mPDF and RMC analysis of the neutron data. This method has the potential to be broadly useful for neutron powder diffraction experiments on a variety of materials with short-range atomic or magnetic order.

magnetism↗
NASA NTRS1996

Turbulent flame propagation in partially premixed flames

Turbulent premixed flame propagation is essential in many practical devices. In the past, fundamental and modeling studies of propagating flames have generally focused on turbulent flame propagation in mixtures of homogeneous composition, i.e. a mixture where the fuel-oxidizer mass ratio, or equivalence ratio, is uniform. This situation corresponds to the ideal case of perfect premixing between fuel and oxidizer. In practical situations, however, deviations from this ideal case occur frequently. In stratified reciprocating engines, fuel injection and large-scale flow motions are fine-tuned to create a mean gradient of equivalence ratio in the combustion chamber which provides additional control on combustion performance. In aircraft engines, combustion occurs with fuel and secondary air injected at various locations resulting in a nonuniform equivalence ratio. In both examples, mean values of the equivalence ratio can exhibit strong spatial and temporal variations. These variations in mixture composition are particularly significant in engines that use direct fuel injection into the combustion chamber. In this case, the liquid fuel does not always completely vaporize and mix before combustion occurs, resulting in persistent rich and lean pockets into which the turbulent flame propagates. From a practical point of view, there are several basic and important issues regarding partially premixed combustion that need to be resolved. Two such issues are how reactant composition inhomogeneities affect the laminar and turbulent flame speeds, and how the burnt gas temperature varies as a function of these inhomogeneities. Knowledge of the flame speed is critical in optimizing combustion performance, and the minimization of pollutant emissions relies heavily on the temperature in the burnt gases. Another application of partially premixed combustion is found in the field of active control of turbulent combustion. One possible technique of active control consists of pulsating the fuel flow rate and thereby modulating the equivalence ratio (Bloxsidge et al. 1987). Models of partially premixed combustion would be extremely useful in addressing all these questions related to practical systems. Unfortunately, the lack of a fundamental understanding regarding partially premixed combustion has resulted in an absence of models which accurately capture the complex nature of these flames. Previous work on partially premixed combustion has focused primarily on laminar triple flames. Triple flames correspond to an extreme case where fuel and oxidizer are initially totally separated (Veynante et al. 1994 and Ruetsch et al. 1995). These flames have a nontrivial propagation speed and are believed to be a key element in the stabilization process of jet diffusion flames. Different theories have also been proposed in the literature to describe a turbulent flame propagating in a mixture with variable equivalence ratio (Muller et al. 1994), but few validations are available. The objective of the present study is to provide basic information on the effects of partial premixing in turbulent combustion. In the following, we use direct numerical simulations to study laminar and turbulent flame propagation with variable equivalence ratio.

Poinsot, T.↗