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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Role of Short-Range Order on Diffusion Coefficients in the Li–Mg Alloy

Li–Mg alloys are important because of their beneficial role in fostering uniform plating and stripping of lithium in all-solid-state batteries. The alloy Li x Mg 1–x forms a solid solution on the BCC crystal structure when the lithium content is greater than x ≈ 0.3. The activation barriers of lithium and magnesium exchanges with a vacancy, crucial for substitutional diffusion, are predicted to be exceptionally low and almost identical, with negligible dependence on the alloy composition. The equilibrium vacancy concentration at room temperature is predicted to be very low, and it also remains almost constant with no dependence on Mg content in the alloy (for x Li ≥ 0.5). Nevertheless, both experiments and kinetic Monte Carlo simulations indicate that the tracer diffusion coefficients decrease by almost an order of magnitude with the addition of Mg to the alloy. In this contribution, the crucial role that chemical short-range order plays in affecting the diffusion coefficients is studied. Chemical short-range order is found to increase the effective activation barrier for lithium and magnesium diffusion by making successive atomic hops with vacancies correlated.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Interplanetary diffusion coefficients for cosmic rays

Information on the cosmic-ray diffusion coefficient, kappa, derived from near-earth observations of the solar modulation of galactic electron fluxes and from the near-earth power spectra of the interplanetary magnetic field, has been used to study the heliocentric radial dependence of kappa, and to derive limits on the spatial extent of the solar modulation region. Representing kappa, as a separable function of radius r and rigidity, and assumming kappa(r) proportional to r to the n-th power, we can place a limit on the power law exponent, n not greater than 1.2. The distance of the modulation boundary is a function of n, and, e.g., for n = 0, falls into the range of 6-25 AU.

Cummings, A. C.↗
NASA NTRS1988

Measurement of the diffusion coefficient of acetone in succinonitrile at its melting point

The diffusion coefficient of acetone in liquid succinonitrile at 331.1 K was determined using the method of McBain and Dawson (1935). Only dilute mixtures of SCN-acetone were studied. The interdiffusion constant was determined to be 0.0000127 sq cm/s and was essentially independent of the acetone concentration over the range investigated (0.5 to 18 mol pct acetone).

Chopra, M. A.↗
NASA NTRS1978

The radial diffusion coefficient of 1.3 - 2.3 MeV protons in recurrent proton streams

The paper presents anisotropy measurements of 1.3-2.3 MeV protons in the interplanetary space during recurrent events for which the radial intensity variation is measured within the radial range from about 0.3 to about 4 AU for the period from June, 1973 through April, 1976. The simultaneous measurements of the diffusive anisotropy and the radial gradient are used to make a direct estimate of the interplanetary radial diffusion coefficient, which is independent of any particular solution of the propagation equation. IMP 7 and 8 is required to be sunward of the earth and hence outside of the magnetosphere; if both spacecraft are sunward, measurements from the one farthest from the magnetosphere are used. The resulting values for the radial diffusivity coefficient near 1 AU lie in the range (3 to 9) x 10 to the 20th sq cm/sec, corresponding to scattering mean free paths between 0.03 and 0.1 AU with a mean of 0.06 AU.

Mewaldt, R. A.↗
NASA NTRS1993

Diffusion coefficients of energetic water group ions near Comet Giacobini-Zinner

Data from the ultralow-energy charge analyzer and energetic particle anisotropy spectrometer sensors, acquired when the ICE spacecraft flew past Comet Giacobini-Zinner on September 11, 1985, are combined, and a single, self-consistent analysis technique is applied to derive a single-particle spectrum from about 200 to 1600 km/s. This information, together with the deduced bulk flow speed of the ions, is used to calculate a parallel diffusion coefficient in the transition region downstream of the bow wave (2.3 +/- 0.5) x 10 exp 17 sq cm/s; the corresponding scattering mean free path is (6 +/- 1) x 10 exp 4 km. The parallel diffusion coefficient is found to depend on the collision frequency of water group ions with Alfven waves, which are assumed to be propagating parallel (antiparallel) to the magnetic field.

Tan, L. C.↗
NASA NTRS1981

Computations of ion diffusion coefficients from the Boltzmann-Fokker-Planck equation

The Boltzmann-Fokker-Planck equation is solved with the Chapman-Enskog method of analysis for the velocity distribution functions of helium, carbon, nitrogen, and oxygen. The analysis is a perturbation scheme based on the assumption of a collision-dominated gas, and the calculations are carried out to first order. The elements considered are treated as trace constituents in an electron-proton gas. From the resulting distribution functions, diffusion coefficients are computed which are found to be 20-30% less than those obtained by Chapman and Burgers. In addition, it is shown that the return current of cold electrons needed to maintain quasi-neutrality in a plasma with a temperature gradient contributes a term in the thermal diffusion coefficient omitted erroneously in previous works. This added term resolves the longstanding controversy over the discrepancy between the coefficients of Chapman and Burgers, which are seen to be completely equivalent in the light of this analysis. The viscosity coefficient for an electron-proton gas is also computed and found to be 7% less than that obtained by Braginskii.

Roussel-Dupre, R.↗
DOE OSTI2023

Hydrogen Diffusion Coefficient Measures on Thin Film Uranium Oxide

Thin films of uranium oxides, putatively UO 2 and U 3 O 8 , were deposited on palladium/silver (75/25) foil discs (10 μm thick, 10 mm diameter). Methodology for sealing these foils, applying a hydrogen pressure (~ 1 atm) to the oxide side, and measuring the pressure on the permeate side (opposite side of foil) is reported. The experimental apparatus is held at 100 °C to speed diffusion, aided by the pressure differential across the foil (~1 atm (750 torr) on oxide side, initially low vacuum on permeate side, ~1x 10 -4 torr). Early results indicate an effective diffusion coefficient of roughly 7.66 x 10 -17 +/- 2.22 x 10 -17 cm 2 /sec for UO 2 . These values are in line with expectations and prior measures relative to large lag times for system baseline (substrate only). Evaluation of the technique for U 3 O 8 thin films suggests further development will be needed to extend the technique to more oxidized films (U 3 O 8 , UO 3 ). Characterization of the foils (thickness and speciation) post diffusion experiments will be carried out by SIGMA (Eric Tegtmeier and Andy Richards) in FY24 which will sharpen the uncertainty quantification for UO 2 diffusion coefficients, aiding the nucleation model for DRACO.

36 MATERIALS SCIENCE↗
NASA NTRS1986

The use of the experimentally deduced Brunt-Vaisala frequency and turbulent velocity fluctuations to estimate the eddy diffusion coefficient

The determination of the turbulent energy dissipation rate or the eddy diffusion coefficient from radar observations can be done through the turbulence refractive index structure constant, deduced from calibrated echo power measurements, or through the turbulent velocity fluctuations, deduced from the echo spectrum width. Besides the radar parameters, power and spectrum width, the first approach needs knowledge of profiles of temperature and electron density in the mesosphere and the fraction of the radar volume filled with turbulence. The latter approach needs knowledge of the temperature profile, namely, the Brunt-Vaisala frequency. The use of this latter approach is demonstrated.

Rottger, J.↗
DOE OSTI2022

Analytical homogenization techniques applied to the Fickian diffusion: Effective diffusivity coefficient

For multiple applications in nuclear energy, the ability to accurately represent material behavior with a simplified model is important to facilitate practical engineering-scale simulations. In this work, we focus on the homogenized thermal response of a medium containing spherical inclusions, similar to a fuel form (compact or pebble) containing TRISO particles. An extensive survey on effective thermal conductivity modeling was performed in our previous study, considering a random distribution of mono-sized spherical inclusions in a continuous matrix. Using the analogy between heat conduction and the simplified Fickian diffusion (or fission product species conservation), we can use the same analytical homogenization methods to obtain ETC as for the effective diffusivity coefficient (EDC). We performed several numerical experiments at varying conditions to assess the validity of our hypothesis for EDC calculations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Apparent Increasing Lithium Diffusion Coefficient with Applied Current in Graphite

In this study, we assert that the apparent lithium diffusion coefficient in graphite active particles in the negative electrodes of lithium-ion cells increases appreciably with the intercalation rate. This assertion is based on an electrochemical model analysis of a wide range of electrochemical micro-reference electrode full cell studies on a coated natural graphite and other literature results. Although the mechanism for this increase is a subject of further investigation, the results of our study suggest that the lithium transport in the graphite does not limit the maximum attainable charging rate in typical lithium-ion cells for electric vehicles.

25 ENERGY STORAGE↗
DOE OSTI2020

Reduced Artifact Approach for Determining Diffusion Coefficients in Time-Resolved Microscopy

Ultrafast microscopy methods traditionally assume a Gaussian profile to extract excited state diffusivities from transport measurements. Although this fitting method recovers accurate diffusion coefficients when the point spread function is well-represented by a Gaussian, even minor spatial aberrations introduced by the imaging system cause significant errors in the determined value. To provide a more accurate measure of excited state transport in nano- and microscale materials systems, in this work an alternative analysis protocol is proposed that numerically convolves the Green’s function solution to the diffusion equation with the experimentally measured point spread function. In contrast to the Gaussian fitting approach, the numerical convolution is shown to be robust against artifacts caused by nonideal point spread functions. Furthermore, the numerical convolution approach is highly effective at resolving anisotropic diffusion in modeled data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Large Exciton Diffusion Coefficients in Two Dimensional Covalent Organic Frameworks with Different Domain Sizes Revealed by Ultrafast Exciton Dynamics

Large singlet exciton diffusion lengths are a hallmark of high performance in organic-based devices such as photovoltaics, chemical sensors, and photodetectors. In this study, exciton dynamics of a two-dimensional covalent organic framework, 2D COF-S, is investigated using ultrafast spectroscopic techniques. After photoexcitation, the COF-S exciton decays via three pathways: (1) excimer formation (4 +/- 2 ps), (2) excimer relaxation (160 +/- 40 ps), and (3) excimer decay (>3 ns). Excitation fluence-dependent transient absorption studies suggest that COF-5 has a relatively large diffusion coefficient (0.08 cm(2)/s). Furthermore, exciton-exciton annihilation processes are characterized as a function of COF-S crystallite domain size in four different samples, which reveal domain-size-dependent exciton diffusion kinetics. These results reveal that exciton diffusion in COF-S is constrained by its crystalline domain size. These insights indicate the outstanding promise of delocalized excitonic processes available in 2D COFs, which motivate their continued design and implementation into optoelectronic devices.

Flanders, Nathan C.↗