An analytic MEAM model for all BCC transition metals

摘要

A new pair potential is proposed, and a new analytic MEAM is developed by adding a modification term to total energy with the pair potential. The model can reproduce the shear moduli of all BCC transition metals accurately, especially the negative Cauchy pressure for the metal Cr. The mono- and di-vacancy formation and migration energies for all BCC transition metals are calculated with the model. The calculations are in agreement with the available experimental data.