Construction of an n-body potential and molecular-dynamics study of interfacial reaction in the Ni/Mo bilayer
Department of Materials Science and Engineering, Tsinghua University, Beijing 100084, PRC
National Laboratory of Solid-State Microstructure Physics, Nanjing University, Nanjing 210093, PRC
Accepted: 29 June 1998
An n-body potential is constructed for the Ni-Mo system based on the Finnis-Sinclair formalism. The potential with optimized parameters is able to reproduce some physical properties of several Ni-Mo equilibrium and metastable alloy phases. Molecular-dynamics simulation with the constructed potential is performed to study the detailed process of interfacial reaction in a Ni/Mo bilayer upon annealing at medium temperatures of 300 to and reveals that amorphization is driven by mutual atomic diffusion and follows exactly a law.
PACS: 64.70.Kb – Solid-solid transitions / 82.20.Wt – Computational modeling; simulation / 61.43.Dq – Amorphous semiconductors, metals, and alloys
© EDP Sciences, 1998