Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Diffusion model”

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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A coupled vacancy diffusion-dislocation dynamics model for the climb-glide motion of jogged screw dislocations

Here, we develop a novel model to study the climb/glide motion of jogged screw dislocations within the discrete dislocation dynamics (DDD) framework. We present results for the dependence of the climb velocity on the applied stress and on the jog size and distribution statistics. We show that the model predictions are consistent with experimental data in both γ-TiAl and Zircaloy-4. The ranges of the applied stress and jog spacing that determine the dominance of one of three dislocation mechanisms are identified. These are the jog dragging, dipole dragging, and dipole bypass mechanisms, respectively. The overall dislocation motion in the jog dragging regime is composed of glide of screw segments and climb of jogs, controlling the plastic strain and the creep rate, respectively. Based on current simulations and on a detailed examination of the predicted jog heights compared to experiments, we advance the hypothesis that a combination of jog dragging and dipole bypass mechanisms is necessary to reproduce the high creep rate observed in some experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Measurement and modeling of methane diffusion in hydrocarbon mixtures

Methane (CH 4 ) dissolution and diffusive mass transfer in liquid hydrocarbon mixtures is of key interest in the context of enhanced oil recovery from tight shales. In this paper, we have studied CH 4 dissolution and diffusion in normal alkane mixtures at a temperature of 50 ⁰C and at pressures of ~8 MPa. For the measurement of CH 4 dissolution/diffusion in bulk liquid hydrocarbon mixtures, we have utilized a high pressure and temperature, constant-volume diffusion (CV-D) setup. Here, we have studied CH 4 diffusion in mixtures with three long-chain normal alkanes: decane (C 10 ), dodecane (C 12 ) and hexadecane (C 16 ). We have measured CH 4 solubility and diffusion in its binary mixtures with each of these three normal alkanes, as well as in ternary and quaternary mixtures. During the experiments, the swelling of the liquid mixture due to CH 4 dissolution was measured in situ via a cathetometer and was subsequently integrated into the data analysis. A key conclusion from this study is that the solubility and transport properties of the multicomponent mixtures can be predicted accurately from binary mixture measurements using an appropriate Equation of State (EOS) and Wilke’s simplification of the classical Maxwell-Stefan (MS) diffusion theory. This observation can facilitate accurate prediction of diffusive mass transfer in more complex liquid hydrocarbon mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Hillock formation in co-deposited thin films of immiscible metal alloy systems

Hillocks are protruding sections of a surface that can influence the electronic and mechanical properties of a thin film. In monolithic films, these hillocks are formed due to thermally induced stress gradients during deposition. In this study, the surface morphology of co-sputtered immiscible Cu-X (X is a body centered cubic (BCC) group V or VI metal) thin films is characterized to elucidate the conditions that lead to hillock formation. Cu-Ta and Cu-Mo-Ag films were co-deposited with physical vapor deposition (PVD) magnetron sputtering at 25, 400, 600, and 800°C. A significant number of homogeneously distributed surface hillocks were observed only in the 600 and 800°C films. High-angle annular dark field (HAADF) cross-sectional imaging revealed significant Cu agglomerations underneath the protruding features. For the Cu-Ta films, the Cu was enveloped in a Cu-Ta nanocrystalline matrix. For Cu-Mo-Ag, the Cu was surrounded by Mo-Ag concentration modulations. While thermal stress gradients arise during deposition of immiscible metal films, biaxial stress calculations and literature cases reveal that they are not solely responsible for hillock formation. The observed morphologies align with a surface diffusion kinetic model that evaluates diffusion length of adatoms during deposition as a function of deposition temperature. Finally, this indicates a phase separation driving force paired with the constituent elements’ dissimilar mobilities at elevated deposition temperatures contribute to the presence of hillocks.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A fractional Fokker-Planck model for anomalous diffusion

In this paper, we present a study of anomalous diffusion using a Fokker-Planck description with fractional velocity derivatives. The distribution functions are found using numerical means for varying degree of fractionality of the stable Lévy distribution. The statistical properties of the distribution functions are assessed by a generalized normalized expectation measure and entropy in terms of Tsallis statistical mechanics. We find that the ratio of the generalized entropy and expectation is increasing with decreasing fractionality towards the well known so-called sub-diffusive domain, indicating a self-organising behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Model of diffusion-assisted direct laser writing by means of nanopolymerization in the presence of radical quencher

Diffusion-assisted direct laser writing (DA-DLW) by multiphoton polymerization has been recently shown to be one of the most promising methods for the high-resolution 3D nanofabrication [I. Sakellari, et al., ACS Nano 6, 2302 (2012)]. The improvement of the writing spatial resolution has been observed under certain conditions when the mobile radical quencher (polymerization inhibitor) is added to the photosensitive composition. In this work, we present a theoretical study of this method, focusing on the resolution capabilities and optimal writing parameters. The laser beam absorption in the polymerizable composition causes the localized depletion of the quencher molecules. If the quencher depletion is balanced by its diffusion from the outside of the focal volume, the quasi-stationary non-equillibrium concentration spatial profile with zero minimum can be obtained. The polymer is then effectively formed only in the domain where the quencher is depleted. The spatially-distributed quencher, in this case, has the effect similar to that of the vortex beam in STimulated Emission Microscopy (STED)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Extraction Kinetics of Rare Earth Elements from Ion-Adsorbed Underclays

Citric acid has been identified as an environmentally sustainable organic acid capable of leaching up to ~30% of easily accessible REEs from underclay material. An analysis of the leaching profiles was performed to discern the reaction rates, extraction efficiencies, and potential leaching mechanisms of REEs and cations of interest from ion-adsorbed underclays. The initial leaching stage follows a slow intraparticle diffusion mechanism followed by a second stage controlled by a mixed diffusion regime. The leaching profiles of Ca and P were similar to those of REEs, suggesting that REEs are most likely derived from mineral surfaces such as hydroxyapatite or crandallite rather than predominately from underclays. Fitting to a modified diffusion control model found diffusion-controlled leaching to be the primary mechanism whereas non-diffusive mechanisms made up about 22% of the extracted REEs. Gangue cations associated with underclays had less non-diffusive leaching than REE species, indicating that their leaching kinetics may be dominated by diffusion from within the material or potentially from product layer formation. Fitting to Boyd plots further indicated that REEs were leached following intraparticle diffusion control. These results have important implications for the development of more efficient and sustainable methods for extracting REEs or critical minerals from alternative feedstocks.

Prem, Priscilla↗