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Impulsive generation of < 100 & rang; dislocation loops in BCC iron
(IOP Publishing Ltd., 2020-07)
The conditions for the formation of < 100 & rang; dislocation loops in body-centered cubic (BCC) iron were investigated via molecular dynamics simulations using a simplified model intended to mimic conditions in high energy ...
Hydrogen effects on the mechanical properties of nanocrystalline free-standing Palladium thin films
(Elsevier Ltd., 2020-05)
Pd membranes are used both in hydrogen detection and hydrogen separation devices. Their properties can be improved at the nanometer scale. We simulate atomistically the tensile properties of Pd mono and polycrystalline ...
Molecular dynamics simulations of thermal conductivity between two nanoparticles in contact
(American Institute of Physics, 2020-06)
The nanoscale properties of materials can have a great influence on their macroscopic behavior; for instance, the generation and accumulation of defects at the nanoscale, such as point defects, porosity, and interfaces, ...