Molecular Dynamics Simulation of Compressive Mechanical Behavior of Nanocrystalline Fe
The uniaxial compressive mechanical properties of nanocrystalline Fe are simulated with a molecular dynamics technique and the analytical embedded-atom method. An asymmetrical mechanical phenomenon between tensile and compressive process is found, and the yield stress and flow stress in compression are higher than those in tension simulations. The compressive deformation process can be described as three characteristic regions: quasi-elastic deformation, plastic flowing deformation, and strain strengthening. During the plastic flowing deformation region, the material shows very good compressive ductibility. The plastic deformation is mainly dominated by the grain boundary atom slide.
Z.Y. Zhong, H. Saka, T.H. Kim, E.A. Holm, Y.F. Han and X.S. Xie
S. F. Xiao and Y. H. Wang, "Molecular Dynamics Simulation of Compressive Mechanical Behavior of Nanocrystalline Fe", Materials Science Forum, Vols. 475-479, pp. 3291-3294, 2005