Now showing items 1-10 of 205
On the determination of defect dipoles from atomistic simulations using periodic boundary conditions
(Taylor & Francis Ltd, 2016-11)
By solving the problem of a periodic distribution of point defects in general anisotropic media, we give an alternative, more direct proof, of the relatively recent procedure that extracts dipole tensors from the stress ...
ATOMISTIC SIMULATIONS IN THE FE-C SYSTEM
Model for diffusion at the microcanonical superheating limit from atomistic computer simulations
(AMER PHYSICAL SOC, 2011)
ATOMISTIC SIMULATION OF DENSIFIED AMORPHOUS ALUMINA
(SOCIEDAD MEXICANA DE FISICA, 2002)
Atomistic Study of Water Confined in Silica.
(Sociedade Brasileira de FísicaÁguas de Lindóia, 2013-05-13)
In this work, we have used a combined of atomistic simulation methods to explore the effects of confinement of water molecules between silica surfaces. Firstly, the mechanical properties of water severe confined (~3A) ...