Molecular dynamics simulation of crystallization in an amorphous metal during shear deformation

A molecular dynamics simulation was performed to investigate the structural changes during a shear deformation process in an amorphous metal. An amorp hous model is constructed from Ni atoms interacting via a Morse-type painwi se additive potential. At shear stresses below 2.4 GPa,shear strain increas ed linearly with increasing shear stress. However, large shear deformation occurred when shear stress reached 2.8 GPa. During this shear deformation, crystallization was observed in the model. The crystalline phase had an fee structure which had an orientation relationship, i.e., the shear direction and a (111) plane are parallel. This relationship was consistent with our experimental study on a Ni-P amorphous alloy.