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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 1,369 records · Page 76

Effects of size and concentration on diffusion-induced stress in lithium-ion batteries

Capacity fade of lithium-ion batteries induced by chemo-mechanical degradation during charge-discharge cycles is the bottleneck in design of high-performance batteries, especially high-capacity electrode materials. Stress generated due to diffusion-mechanical coupling in lithium-ion intercalation and deintercalation is accompanied by swelling, shrinking, and even micro-cracking. In this paper, we propose a theoretical model for a cylindrical nanowire electrode by combining the bond-order-length-strength and diffusion theories. It is shown that size and concentration have a significant influence on the stress fields in radial, hoop, and axial directions. This can explain why a smaller electrode with a huge volume change survives in the lithiation/delithiation process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Silver photo-diffusion and photo-induced macroscopic surface deformation of Ge{sub 33}S{sub 67}/Ag/Si substrate

Ge-chalcogenide films show various photo-induced changes, and silver photo-diffusion is one of them which attracts lots of interest. In this paper, we report how silver and Ge-chalcogenide layers in Ge{sub 33}S{sub 67}/Ag/Si substrate stacks change under light exposure in the depth by measuring time-resolved neutron reflectivity. It was found from the measurement that Ag ions diffuse all over the matrix Ge{sub 33}S{sub 67} layer once Ag dissolves into the layer. We also found that the surface was macroscopically deformed by the extended light exposure. Its structural origin was investigated by a scanning electron microscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Communication: Relationship between solute localization and diffusion in a dynamically constrained polymer system

We investigate the link between dynamic localization, characterized by the Debye–Waller factor, 〈u{sup 2}〉, and solute self-diffusivity, D, in a polymer system using atomistic molecular dynamics simulations and vapor sorption experiments. We find a linear relationship between lnD and 1/〈u{sup 2}〉 over more than four decades of D, encompassing most of the glass formation regime. The observed linearity is consistent with the Langevin dynamics in a periodically varying potential field and may offer a means to rapidly assess diffusion based on the characterization of dynamic localization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Entropic and gradient flow formulations for nonlinear diffusion

Nonlinear diffusion ∂{sub t}ρ = Δ(Φ(ρ)) is considered for a class of nonlinearities Φ. It is shown that for suitable choices of Φ, an associated Lyapunov functional can be interpreted as thermodynamic entropy. This information is used to derive an associated metric, here called thermodynamic metric. The analysis is confined to nonlinear diffusion obtainable as hydrodynamic limit of a zero range process. The thermodynamic setting is linked to a large deviation principle for the underlying zero range process and the corresponding equation of fluctuating hydrodynamics. For the latter connections, the thermodynamic metric plays a central role.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A comment on the position dependent diffusion coefficient representation of structural heterogeneity

Experimental studies of the variation of the mean square displacement (MSD) of a particle in a confined colloid suspension that exhibits density variations on the scale length of the particle diameter are not in agreement with the prediction that the spatial variation in MSD should mimic the spatial variation in density. The predicted behavior is derived from the expectation that the MSD of a particle depends on the system density and the assumption that the force acting on a particle is a point function of position. The experimental data are obtained from studies of the MSDs of particles in narrow ribbon channels and between narrowly spaced parallel plates and from new data, reported herein, of the radial and azimuthal MSDs of a colloid particle in a dense colloid suspension confined to a small circular cavity. In each of these geometries, a dense colloid suspension exhibits pronounced density oscillations with spacing of a particle diameter. We remove the discrepancy between prediction and experiment using the Fisher-Methfessel interpretation of how local equilibrium in an inhomogeneous system is maintained to argue that the force acting on a particle is delocalized over a volume with radius equal to a particle diameter. Our interpretation has relevance to the relationship between the scale of inhomogeneity and the utility of translation of the particle MSD into a position dependent diffusion coefficient and to the use of a spatially dependent diffusion coefficient to describe mass transport in a heterogeneous system.

74 ATOMIC AND MOLECULAR PHYSICS↗

Stratification of polymer mixtures in drying droplets: Hydrodynamics and diffusion

In this work, we study the evaporation-induced stratification of a mixture of short and long polymer chains in a drying droplet using molecular simulations. We systematically investigate the effects of hydrodynamic interactions (HI) on this process by comparing hybrid simulations accounting for HI between polymers through the multiparticle collision dynamics technique with free-draining Langevin dynamics simulations neglecting the same. We find that the dried supraparticle morphologies are homogeneous when HI are included but are stratified in core–shell structures (with the short polymers forming the shell) when HI are neglected. The simulation methodology unambiguously attributes this difference to the treatment of the solvent in the two models. We rationalize the presence (or absence) of stratification by measuring phenomenological multicomponent diffusion coefficients for the polymer mixtures. The diffusion coefficients show the importance of not only solvent backflow but also HI between polymers in controlling the dried supraparticle morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Calculation of self-diffusion coefficients in supercritical carbon dioxide using mean force kinetic theory

This paper presents an application of mean force kinetic theory (MFT) to the calculation of the self-diffusivity of CO 2 in the supercritical fluid regime. Two modifications to the typical application of MFT are employed to allow its application to a system of molecular species. Therefore, the first is the assumption that the inter-particle potential of mean force can be obtained from the molecule center-of-mass pair correlation function, which in the case of CO 2 is the C–C pair correlation function. The second is a new definition of the Enskog factor that describes the effect of correlations at the surface of the collision volume. The new definition retains the physical picture that this quantity represents a local density increase, resulting from particle correlations, relative to that in the zero density homogeneous fluid limit. These calculations are facilitated by the calculation of pair correlation functions from molecular dynamics (MD) simulations using the FEPM2 molecular CO2 model. The self-diffusivity calculated from theory is in good agreement with that from MD simulations up to and slightly beyond the density at the location of the Frenkel line. The calculation is compared with and is found to perform similarly well to other commonly used models but has a greater potential for application to systems of mixed species and to systems of particles with long range interatomic potentials due to electrostatic interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Oxide dissolution and oxygen diffusion scenarios in niobium and implications on the Bean–Livingston barrier in superconducting cavities

We generalize a native Nb 2 O 5 dissolution model [G. Ciovati, Appl. Phys. Lett. 89, 022507 (2006)] to sequential overlayer dissolutions, multilayer dissolution, and realistic temperature profiles, which may be applicable to other materials. The model is applied to secondary ion mass spectrometry depth profile measurements for varying temperature profiles and two-step oxide dissolution in Nb and found to agree well. In the context of the Meissner screening response due to impurity profiles on the length scale of the London penetration depth, the shallow diffusion of O impurities results in a substantial decrease in the peak supercurrent density near the surface. In this framework, oxide dissolution and oxygen diffusion can account for a rise in peak supportable magnetic field in SRF cavities with baking time and a suppression after the optimal baking time is reached, in good agreement with peak-field baking temperatures and times as well as recent quench field measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Femtosecond temperature measurements of laser-shocked copper deduced from the intensity of the x-ray thermal diffuse scattering

We present 50-fs, single-shot measurements of the x-ray thermal diffuse scattering (TDS) from copper foils that have been shocked via nanosecond laser ablation up to pressures above ∼135 GPa. We hence deduce the x-ray Debye–Waller factor, providing a temperature measurement. The targets were laser-shocked with the DiPOLE 100-X laser at the High Energy Density endstation of the European X-ray Free-Electron Laser. Single x-ray pulses, with a photon energy of 18 keV, were scattered from the samples and recorded on Varex detectors. Despite the targets being highly textured (as evinced by large variations in the elastic scattering) and with such texture changing upon compression, the absolute intensity of the azimuthally averaged inelastic TDS between the Bragg peaks is largely insensitive to these changes, and allowing for both Compton scattering and the low-level scattering from a sacrificial ablator layer provides a reliable measurement of $T/Θ^2_D$, where Θ D is the Debye temperature. We compare our results with the predictions of the SESAME 3336 and LEOS 290 equations of state for copper and find good agreement within experimental errors. We, thus, demonstrate that single-shot temperature measurements of dynamically compressed materials can be made via thermal diffuse scattering of XFEL radiation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Experimental Investigation of FCCI Using Diffusion Couple Test Between UZr Fuel with Sb Additive and Cladding

Alloying additions are introduced into U-Zr fuel in order to bind lanthanides (e.g., cerium) and prevent their migration to the fuel-cladding interface. Antimony (Sb) is being investigated as a candidate additive. The present study focuses on the diffusion couple behavior of U-10Zr (wt%) alloy with Sb against cladding (iron or HT9) at 640°C. The diffusion cross sections were analyzed using a scanning electron microscope and X-ray diffraction. Zr-rind was found at the interface of the fuel alloy, Sb was found to be bound in Sb-Zr precipitates or Sb-Ce precipitates, and no reaction was found between Sb precipitates and the cladding materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Diffusion Limit–Preserving Lumped DFEMs on AMR Meshes

Here, we present sweep-compatible, novel upwinding recipes for the bilinear discontinuous (BLD) finite element method (FEM) that allows lumped BLD to be used on adaptive mesh refinement (AMR) meshes for thick transport applications without adding additional degrees of freedom at hanging nodes that exist on refinement boundaries. We analyze the properties of the upwinding and lumping that are needed for BLD to get the thick diffusion limit on such meshes, present results demonstrating locking with the wrong recipe, and present results showing error convergence and robustness properties for two diffusive problems on a variety of AMR meshes.

42 ENGINEERING↗

Atmospheric escape by magnetically driven wind from gaseous planets. II. Effects of magnetic diffusion

We investigate roles of Alfvénic waves in the weakly ionized atmosphere of hot Jupiters by carrying out non-ideal MHD simulations with ohmic diffusion in one-dimensional magnetic flux tubes. Turbulence at the surface excites Alfvén waves, and they propagate upward to drive hot (≈10{sup 4} K) outflows. The magnetic diffusion plays an important role in the dissipation of the Alfvénic waves in the weakly ionized atmosphere of hot Jupiters. The mass-loss rate of the spontaneously driven planetary wind is considerably reduced, in comparison with that obtained from ideal MHD simulations because the Alfvénic waves are severely damped at low altitudes in the atmosphere, whereas the wave heating is still important in the heating of the upper atmosphere. Dependence on the surface temperature, planetary radius, and velocity dispersion at the surface is also investigated. We find an inversion phenomenon of the transmitted wave energy flux; the energy flux carried by Alfvén waves in the upper atmosphere has a nonmonotonic correlation with the input energy flux from the surface in a certain range of the surface temperature because the resistivity is determined by the global physical properties of the atmosphere in a complicated manner. We also point out that the heating and mass loss are expected only in limited zones if the open magnetic field is confined in the limited regions.

79 ASTRONOMY AND ASTROPHYSICS↗

Analytic study of 1D diffusive relativistic shock acceleration

Diffusive shock acceleration (DSA) by relativistic shocks is thought to generate the dN / dE ∝ E{sup −p} spectra of charged particles in various astronomical relativistic flows. We show that for test particles in one dimension (1D), p {sup −1}=1−ln[γ{sub d}(1+β{sub d})]/ln[γ{sub u}(1+β{sub u})], where β{sub u}(β{sub d}) is the upstream (downstream) normalized velocity, and γ is the respective Lorentz factor. This analytically captures the main properties of relativistic DSA in higher dimensions, with no assumptions on the diffusion mechanism. Unlike 2D and 3D, here the spectrum is sensitive to the equation of state even in the ultra-relativistic limit, and (for a J(üttner-Synge equation of state) noticeably hardens with increasing 1<γ{sub u}<57, before logarithmically converging back to p (γ{sub u→∞})=2. The 1D spectrum is sensitive to drifts, but only in the downstream, and not in the ultra-relativistic limit.

79 ASTRONOMY AND ASTROPHYSICS↗

On how structures convey non-diffusive turbulence spreading

Abstract We report on comprehensive experimental studies of turbulence spreading in edge plasmas. These studies demonstrate the relation of turbulence spreading and entrainment to intermittent convective density fluctuation events or bursts (i.e. blobs and holes). The non-diffusive character of turbulence spreading is thus elucidated. The turbulence spreading velocity (or mean jet velocity) manifests a linear correlation with the skewness of density fluctuations, and increases with the auto-correlation time of density fluctuations. Turbulence spreading by positive density fluctuations is outward, while spreading by negative density fluctuations is inward. The degree of symmetry breaking between outward propagating blobs and inward propagating holes increases with the amplitude of density fluctuations. Thus, blob-hole asymmetry emerges as crucial to turbulence spreading. These results highlight the important role of intermittent convective events in conveying the spreading of turbulence, and constitute a fundamental challenge to existing diffusive models of spreading.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Technological diffusion trends suggest a more equitable future for rooftop solar in the United States

Abstract Equity has become central in the academic and regulatory discourse shaping the future of residential-scale clean energy technologies in the United States, particularly rooftop solar. Here, we develop a holistic perspective on these issues by analyzing rooftop solar adoption trends using two alternative forecasting methods: an inside-view forecast based on historical solar adoption data, and an outside-view forecast based on adoption data for other emerging consumer technologies. We show how rooftop solar, like other emerging consumer technologies, has become more equitably adopted over time. We show that solar diffusion patterns are largely consistent with those of other technologies. Both forecasting methods suggest that clean energy technologies should be expected to become more equitably adopted over time. Policy could accelerate this process by supporting low-income adoption without unduly curbing overall diffusion.

14 SOLAR ENERGY↗

Symmetry and separability of the neutron diffusion equation

Separation of variables is one of the oldest techniques for solving certain classes of partial differential equations (PDEs). As is the case with many other solution techniques for differential equations, separation of variables may be codified within the broader framework of symmetry analysis. Though the separation of variables technique is frequently used in the nuclear engineering context with various equations describing neutron transport, its connection to the symmetries of those equations has not yet been thoroughly established. It is thus the purpose of this work to establish that connection using neutron diffusion as both an initial step toward analysis of more generally applicable equations, and as a connection to previous results in related problems. Using Lie group analysis, it is found that the traditional space-time separable solution of the neutron diffusion equation (featuring a single α-eigenvalue) corresponds to time translation and flux scaling symmetries. Additional solutions of this equation are also constructed using its broader symmetry set.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Resolving turbulent magnetohydrodynamics: a hybrid operator-diffusion framework

We present a hybrid machine learning framework that combines physics-informed neural operators (PINOs) with score-based generative diffusion models to simulate the full spatio-temporal evolution of two-dimensional, incompressible, resistive magnetohydrodynamic turbulence across a broad range of Reynolds numbers (Re). The framework leverages the equation-constrained generalization capabilities of PINOs to predict coherent, low-frequency dynamics, while a conditional diffusion model stochastically corrects high-frequency residuals, enabling accurate modeling of fully developed turbulence. Trained on a comprehensive ensemble of high-fidelity simulations with Re ϵ {100, 250, 500, 750, 1000, 3000, 10000}, the approach achieves state-of-the-art accuracy in regimes previously inaccessible to deterministic surrogates. At Re = 1000 and 3000, the model faithfully reconstructs the full spectral energy distributions of both velocity and magnetic fields late into the simulation, capturing non-Gaussian statistics, intermittent structures, and cross-field correlations with high fidelity. At extreme turbulence levels (Re = 10 000), it remains the first surrogate capable of recovering the high-wavenumber evolution of the magnetic field, preserving large-scale morphology and enabling statistically meaningful predictions.

Diffusion-Integrated Neural Operators↗

Diffuse sources, clustering, and the excess anisotropy of the radio synchrotron background

ABSTRACT We present the largest low frequency (120 MHz) arcminute resolution image of the radio synchrotron background (RSB) to date, and its corresponding angular power spectrum of anisotropies (APS) with angular scales ranging from 3° to 0.3 arcmin. We show that the RSB around the north celestial pole has a significant excess anisotropy power at all scales over a model of unclustered point sources based on source counts of known source classes. This anisotropy excess, which does not seem attributable to the diffuse Galactic emission, could be linked to the surface brightness excess of the RSB. To better understand the information contained within the measured APS, we model the RSB varying the brightness distribution, size, and angular clustering of potential sources. We show that the observed APS could be produced by a population of faint clustered point sources only if the clustering is extreme and the size of the Gaussian clusters is ≲1 arcmin. We also show that the observed APS could be produced by a population of faint diffuse sources with sizes ≲1 arcmin, and this is supported by features present in our image. Both of these cases would also cause an associated surface brightness excess. These classes of sources are in a parameter space not well probed by even the deepest radio surveys to date.

79 ASTRONOMY AND ASTROPHYSICS↗