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Results for “strongly inhomogeneous diffusion”

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 19 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 OSTI2020

Efficient lasing in mixtures of helium and fluorine in diffuse discharges formed by runaway electrons

The parameters of stimulated lasing in diffuse discharges formed in mixtures of helium and fluorine in a strongly inhomogeneous electric field are investigated. Lasing is obtained in the visible and VUV spectral regions on the transitions of fluorine atoms and molecules. It is shown that lasing in He – F{sub 2} mixtures at a wavelength of 157 nm continues for several half-periods of the discharge current. Due to the homogeneity of the diffuse discharge, the maximum lasing efficiency of the F{sub 2} laser is 0.15 %, which corresponds to the efficiency of this type of lasers pumped by pre-ionised transverse volume discharges. (paper)

74 ATOMIC AND MOLECULAR PHYSICS↗
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↗
DOE OSTI2020

Highly skewed current–phase relation in superconductor–topological insulator–superconductor Josephson junctions

Three-dimensional topological insulators (TIs) in proximity with superconductors are expected to exhibit exotic phenomena, such as topological superconductivity (TSC) and Majorana-bound states (MBS), which may have applications in topological quantum computation. In superconductor–TI–superconductor Josephson junctions, the supercurrent versus the phase difference between the superconductors, referred to as the current–phase relation (CPR), reveals important information including the nature of the superconducting transport. Here, we study the induced superconductivity in gate-tunable Josephson junctions (JJs) made from topological insulator BiSbTeSe 2 with superconducting Nb electrodes. We observe highly skewed (non-sinusoidal) CPR in these junctions. The critical current, or the magnitude of the CPR, increases with decreasing temperature down to the lowest accessible temperature ( T ~ 20 mK), revealing the existence of low-energy modes in our junctions. The gate dependence shows that close to the Dirac point the CPR becomes less skewed, indicating the transport is more diffusive, most likely due to the presence of electron/hole puddles and charge inhomogeneity. Our experiments provide strong evidence that superconductivity is induced in the highly ballistic topological surface states (TSS) in our gate-tunable TI-based JJs. Furthermore, the measured CPR is in good agreement with the prediction of a model which calculates the phase-dependent eigenstate energies in our system, considering the finite width of the electrodes, as well as the TSS wave functions extending over the entire circumference of the TI.

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 OSTI2020

Substrate-Dependent Exciton Diffusion and Annihilation in Chemically Treated MoS 2 and WS 2

Atomically thin semiconductors such as monolayer MoS 2 and WS 2 exhibit nonlinear exciton–exciton annihilation at notably low excitation densities (below ~10 excitons/μm 2 in exfoliated MoS 2 ). In this work, we show that the density threshold at which annihilation occurs can be tuned by changing the underlying substrate. When the supporting substrate is changed from SiO 2 to Al 2 O 3 or SrTiO 3 , the rate constant for second-order exciton–exciton annihilation, k XX [cm 2 /s], is reduced by 1 or 2 orders of magnitude, respectively. Using transient photoluminescence microscopy, we measure the effective room-temperature exciton diffusion coefficient in bis(trifluoromethane)sulfonimide-treated MoS 2 to be in the range D = 0.03–0.06 cm 2 /s, corresponding to a diffusion length of L D = 350 nm for an exciton lifetime of τ = 18 ns, which does not depend strongly on the substrate. We discuss possible mechanisms for the observed behavior, including substrate permittivity, long-range exciton–exciton or exciton–charge interactions, defect-mediated Auger recombination, and spatially inhomogeneous exciton populations arising from substrate-induced disorder. Exciton annihilation limits the overall efficiency of 2D semiconductor devices operating at high exciton densities; the ability to tune these interactions via the underlying substrate is an important step toward more efficient optoelectronic technologies featuring atomically thin materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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↗
DOE OSTI2021

Enhanced superconductivity and ferroelectric quantum criticality in plastically deformed strontium titanate

The properties of quantum materials are commonly tuned using experimental variables such as pressure, magnetic field and doping. Here we explore a different approach using irreversible, plastic deformation of single crystals. We show that compressive plastic deformation induces low-dimensional superconductivity well above the superconducting transition temperature (Tc) of undeformed SrTiO3, with evidence of possible superconducting correlations at temperatures two orders of magnitude above the bulk Tc. The enhanced superconductivity is correlated with the appearance of self-organized dislocation structures, as revealed by diffuse neutron and X-ray scattering. We also observe deformation-induced signatures of quantum-critical ferroelectric fluctuations and inhomogeneous ferroelectric order using Raman scattering. Our results suggest that strain surrounding the self-organized dislocation structures induces local ferroelectricity and quantum-critical dynamics that strongly influence Tc, consistent with a theory of superconductivity enhanced by soft polar fluctuations. Our results demonstrate the potential of plastic deformation and dislocation engineering for the manipulation of electronic properties of quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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.↗
DOE OSTI2023

Analysis of the High-Pressure High-Temperature (HPHT) growth of single crystal diamond

A multi-scale, computational model is developed to describe the growth characteristics of single-crystal diamond in the High-Pressure, High-Temperature (HPHT) process. This model is the first to connect phase-change kinetics governing crystal growth to the continuum transport of carbon through the growth cell. Results show the importance of convective transport driven by buoyant flow in the metallic solvent, which increases the growth rate by nearly an order of magnitude over that obtained under diffusion alone. Parametric studies show how crystal growth may be kinetically-limited or transport-limited, depending on the value of the macroscopic kinetic coefficient. Estimating this kinetic coefficient from growth experiments yields a phase-change Damköhler number of unity, indicating a mixed regime where phase-change kinetics and transport are comparable and strongly coupled in this system. Mechanisms responsible for slowing growth as the crystal size increases are explained. Finally, supersaturation inhomogeneities along the facets of larger crystals are predicted, which may be relevant to solvent inclusion formation during growth.

36 MATERIALS SCIENCE↗
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.↗