Surface and bulk discrimination in nanosystems; a molecular dynamics simulation investigation

In this work surface and bulk of nanosystems will be investigated using molecular dynamics simulation method. We will show that surfaces have a layer-by-layer continued effect on the energy levels of small systems. Then a critical size can be specified as a limit under which there will be no bulk materials. According to our results, surface energy has a size dependency, more than what is appeared. Here, the energy distributions versus distance from centre of systems are presented.

کلیدواژه ها:

Molecular dynamics ، Thermodynamic properties ، Nanosystems