On the effect of heating and cooling rates on the melting and crystallization of metal nanoclusters

Resumo

The effect of heating and cooling rates on melting (T_m) and crystallization (T_c) temperatures of metal nanoclusters is investigated in terms of the isothermal molecular dynamics. We report on the results obtained for nickel nanoclusters, although analogous results were also obtained for gold and aluminum nanoclusters. It is found that T_m increases, while T_c decreases with increasing heating and cooling rates, both T_m and T_c tending to the same value for heating and cooling rates tending to zero. The results indicate that the hysteresis of melting and crystallization of nanoparticles must be completely due to nonequilibrium conditions of heating and cooling. The transition of Ni nanoclusters to the amorphous state begins at very high cooling rates exceeding 10 TK/s.