Authors : H. Arabshahi and G.R. Ebrahimi
Abstract: A new simulation method has been developed and used to model mechanical properties of materials at many different length scales, from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based descriptions may be useful to macroscopic length scales. In some materials, such as nanocrystalline metals, the range of length scales is compressed and a polycrystalline material may be simulated at the atomic scale. It is observed how the grain boundaries contribute actively to the deformation. At grain sizes below 5-10 nm deformation in the grain boundaries dominate over the traditional dislocation-based deformation mechanisms. This results in a reversal of the normal grain size dependence of the yield stress. It is shown that the material becomes softer when the grain size is reduced.
H. Arabshahi and G.R. Ebrahimi, 2011. A New Simulation Method for Characterization of Mechanical Properties of Nanomaterials. Agricultural Journal, 6: 7-9.