Molecular dynamics simulation of shear in a pressure-induced amorphous model system

BUSTINGORRY SEBASTIAN; JAGLA EDUARDO A.; DOMÍNGUEZ DANIEL

JOURNAL OF NON-CRYSTALLINE SOLIDS

Elsevier

Lugar: Amsterdam; Año: 2006 vol. 352 p. 3074 - 3079

0022-3093

Constant shear rate molecular dynamics simulations for a pressure-induced amorphous model system are presented. In particular, we study the effect of shear rate close to the crystal-to-amorphous transformation. We find that shear may assist the transformation when approaching the mechanical instability point. Amorphous and crystal phases may coexist during steady shear flow, with local shear rearrangements localized in the amorphous phase only, while crystal grains perform overall rotation within the amorphous matrix.