The elastic behavior in Ni monocrystal: Nonlinear effects

Using a molecular static approach with a many-body force field, we have simulated the elastic responses of a nickel monocrystal subjected to uniaxial tensile and compressive loadings in the [001], [011] and [111] directions. The main focus of this work is the nonlinear effects on the elastic modulus and Poisson's ratio. The study shows that the elastic behavior exhibits strongest nonlinear effects for [011] loading, and, for [001] and [111] loadings, the lateral deformation is isotropic. Further, the dependence of the Young's moduli and Poisson's ratios on strain are discussed in detail. A comparison of the results with those of ab initio calculations is also presented, which shows a fair consistency.