The deformation-induced nano-crystallization behavior of amorphous pure Ni was investigated by using a molecular dynamics simulation. The microevolution mechanism of the nano-crystallization,the crystallization process in the multicomponent amorphous Ni-Pd alloys and the temperature effect on the nano-crystallization behavior in amorphous metals were studied. The results show that the small nano-crystalline grain will nucleate and grow during the compression deformation. The deformation induces the growth of the ordered clusters in the amorphous metals and the nano-crystalline grain grows under the shearing combination and shearing deposition. The nano-crystalline grain will nucleate in a lower strain under a higher temperature. The combining severe plastic deformation with thermal annealing treatments presents a new opportunity for developing bulk nano-crystalline materials with controlled microstructures.