Molecular dynamics of viscoplasticity in β-tin lattice and grain boundary

Viscoplasticity in β-Sn lattice and grain boundaries is studied at the atomic level. Two kinds of β-Sn lattice structures are studied. Model I is the perfect β-Sn lattice structure in [0 0 1] orientation. Model II is β-Sn lattice structure with several symmetric tilt grain boundaries. The β-Sn models are simulated by Molecular Dynamics (MD) simulation package, LAMMPS. Modified Embedded-Atom Method (MEAM) is employed for the β-Sn potential. In order to study the effects of strain rate on β-Sn, a range of strain rates are applied. Simulation is conducted for NVT ensemble. Thermal effects are also studied. The results of molecular dynamics simulations are compared with experimental data of viscoplastic behavior of bulk tin.