Simulating Aluminum Nanocrystal Heating by Molecular Dynamic and Phenomenological Method

Molecular dynamic simulation of nanoaluminum melting by the DL_POLY package and the embedded atom potential for determining the heat conductivity and heat capacity have been performed. Analytic approximations of the found dependences of thermophysical parameters on temperature and particle size are presented. A phenomenological physicomathematical model for description of melting of nanosized aluminum samples is presented with due account for these dependences. The investigations were performed for samples with plane, cylindrical, and spherical symmetry. The dependences of the aluminum nanoparticle melting time on the radius and the ambient temperature were found. Two-front melting modes as a consequence of the scaling factor of the melting temperature dependence on the particle size were determined for the first time.