Numerical Simulation of the Compression Behavior of Nanometer-Sized Ag Particles

The mechanical response to hydrostatic compression of Ag particles in the size range between 1 and 7 nm has been investigated by molecular dynamics simulations. The solid particles were prepared starting from molten droplets cooled at realistic rates and embedded in a pressure-transmitting liquid medium. It is shown that the particle bulk modulus undergoes a size-dependent increase related to the size-dependent variation of the Einstein temperature. This correlates in turn with the fraction of atoms with compact coordination and connects the stiffening of Ag particles with their structure.