THERMAL EXPANSION COEFFICIENT FOR COPPER NANOCLUSTERS BY MOLECULAR-DYNAMIC METHOD

In the work it is carried out the molecular-dynamic research of thermal expansion linear coefficient (TLC) for copper nanoclusters of spherical and cubic shapes in the wide range of size. To this purposes the heating of nanocluster was carried out by stochastic forces method. The calculation of number of characteristics was made in certain time steps number. In particularly it were computed the linear sizes of nanostructeure under investigation, its volume, the system temperature. Further the magnitudes of TLC were obtained by known expressions with the help of interpolation; the TLC dependences on nanostructure size were plotted. It was shown that the TLC depends on both nanostructure size and nanostructure shape.