October 4-9, 2015
The mechanical response of metallic nanoparticles has recently attracted a lot of interest due to their specific properties compared to their bulk counterpart, which allow for novel applications in various fields, e.g., composite materials, nanomanufacturing/nano-electromechanical systems. We have employed Molecular Dynamic simulations to study the mechanical behavior of face-centered cubic metallic nanoparticles. Uniaxial compression of monocrystalline nanosphere is investigated using the EAM potentials developed by Mishin et al.  . The resulting behaviors vary with nanoparticle size, crystallographic orientation, and temperature. This work shows that the elastic modulus of metallic nanoparticles is higher than that of the bulk material. Three fcc metals have been tested, allowing to study the effect of different stacking fault energy. The plastic deformation mechanisms were analyzed, with partial dislocations nucleation at the top and bottom contact edges of the nanosphere, followed by dislocations propagation towards the center of the nanoparticle.
 Y. Mishin, D. Farkas, M. J. Mehl, and D. A. Papaconstantopoulos : Interatomic potentials for monoatomic metals from experimental data and ab initio calculations. Phys. Rev. B 59, 3393 – Published 1 February 1999.  Y. Mishin, M. J. Mehl, D. A. Papaconstantopoulos, A. F. Voter, and J. D. Kress : Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations. Phys. Rev. B 63, 224106 – Published 21 May 2001.