Molecular dynamics computer simulation of nanophase Ni: Structure and mechanical properties

Molecular dynamics computer simulations of creep experiments on large Ni nanophase samples with different mean grain size are performed on a massively parallel platform (Cray-T3D). The samples have been constructed by filling up an assigned volume with a polycrystal nucleated from different seeds with random location and orientation. After relaxation to a minimum enthalpy, the samples have been submitted to a constant uniaxial stress. Among the deformation mechanism responsible for the accomodation of the applied stress, grain boundary sliding, grain rotation and grain boundary motion are identified. (C) 1997 Acta Metallurgica Inc.