Molecular Dynamics Simulation of the Tensile Test for Nanoscale Copper Columns
Hwang, S., Kim, S., Kim, S., Lee, S. W., & Park, S. J. (2011). Molecular Dynamics Simulation of the Tensile Test for Nanoscale Copper Columns. Nano Korea 2011 Symposium. Pohang, Korea.
Abstract
Molecular dynamics (MD) simulation of the tensile test for crystalline copper
columns at a submicroscopic level has been performed to help understand
mechanical properties of nanoscale particles. The embedded-atom method (EAM)
interatomic potentials between a pair of Cu atoms has been used to describe
the interactions among Cu atoms in the specimen. The amount of necking and
extension during the tensile test has been calculated from the simulations.
These results has been generalized to explain the macroscopic evolution of
physical properties under the tensile deformation. The yield stress and
Young’s modulus have been calculated by varying particle sizes and particle
configurations under different strain rate. In addition, the results of the
simulation at bulk and atomic scales are compared and the nucleation of
dislocation under tensile deformation has been shown. These computational
experiences can lead to the development of in-silico platform to characterize
materials properties and MD simulation can lay a groundwork for multiscale
modeling and simulation.