Listar por tema "ATOMIC-STRUCTURE"
Mostrando ítems 1-3 de 3
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Elastic properties of nanostructured materials with layered grain boundary structure
(2007)Atomistic calculations of the elastic constants for a bulk nanostructured material that consists of a layered structure where alternating layers meet along high angle grain boundaries and where atoms interact via a ... -
Vacancy effect on the elastic constants of layer-structured nanomaterials
(2009)Layer-structured nanomaterials where alternating layers of nanocrystallites meet along high angle grain boundaries constitute a special category of nanomaterials. In the present study we investigated the effect of the ... -
Vibrational properties of a Sigma 5(310) 001 NiO grain boundary: a local analysis by molecular dynamics simulation
(2002)Using molecular dynamics and a rigid ion potential we studied the vibrational properties of a Sigma5(310)[001] tilt grain boundary in NiO. We calculated the local density of states and the mean square displacement (MSD) ...