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.

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.