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 constru cted by filling up an assigned volume with a polycrystal nucleated fro m different seeds with random location and orientation. After relaxati on to a minimum enthalpy, the samples have been submitted to a constan t uniaxial stress. Among the deformation mechanism responsible for the accomodation of the applied stress, grain boundary sliding, grain rot ation and grain boundary motion are identified. (C) 1997 Acta Metallur gica Inc.