Development of numerical tools for the multiscale modelling of recrystallization in metals, based on a digital material framework
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The press-cake (PC) of oleaginous species (Brassica napus, Moringa oleifera, Glycine max) has been investigated as a biosorbent for metals removal from contaminated water. ...
Diffusion of carbon is the crucial step in chemical vapor deposition (CVD) growth of carbon nanotubes (CNTs) On metal nanoparticles. Using first principles techniques we model the binding and diffusion of carbon atoms and dimers on late transition (Ni, Pd, ...
The high-temperature wettability of AlN particle preforms with pure molten Cu, Al and Ph is quantified by means of drainage curves measured during pressure infiltration. By integrating the drainage curves obtained in this study, the work of immersion for e ...
We investigate the structure and mobility of single self-interstitial atom and vacancy defects in body-centered-cubic transition metals forming groups 5B (vanadium, niobium, and tantalum) and 6B (chromium, molybdenum, and tungsten) of the Periodic Table. D ...
The performance of commonly used pseudopotentials for calcns. of nucleus-independent chem. shifts (NICS) at the center of coinage-metal rings (M4Li2 (D4h), M = Cu, Ag, Au) was studied. The scalar relativity, which has a nonnegligible effect on NICS, is acc ...
Recent research on the incorporation of carbon nanotubes (CNTs) into ceramic and metal matrices to form composite structures is briefly reviewed, with an emphasis on processing methods, mechanical performance, and prospects for successful applications. ...
Several washing agents ( EDTA, CDTA, NTA, 8 HQS, Ti-EDTA- citrate, Ca2+, and H+) were tested for their ability to extract adsorbed metal from biological surfaces to distinguish between internalized and total cellular metal (Pb, Ni, Cd, Zn, and Cu) for a gr ...
A new simulation technique (three-dimensional dislocation dynamics) enabling the capture of a hardening effect in metals due to irradiation is reported. When bombarded with high-energy particles, metals accrue internal damage. In irradiated Pd, for example ...
We present a technique for the computation of the Green's tensor in three-dimensional stratified media composed of an arbitrary number of layers with different permittivities and permeabilities (including metals with a complex permittivity). The practical ...