2012•Russian Metallurgy (Metally)Requires access
Gupta multiparticle potential study of the hysteresis of the melting and solidification of gold nanoclusters
Nickolay Yu. Sdobnyakov, Денис Николаевич Соколов, Владимир Михайлович Самсонов, Павел Вячеславович Комаров
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Abstract
The processes of melting and solidification of gold nanoclusters consisting of 43, 55, 87, 177, 249, 381, 767, and 1055 atoms are studied using the Monte Carlo method and the Gupta multiparticle potential. It is shown that the temperature dependences of the potential part of the specific internal energy of gold nanoclusters and the average first coordination number have pronounced hystereses. The size dependences of the melting and solidification temperatures are found. Based on an analysis of the temperature dependence of the potential part of the specific internal energy of gold nanoclusters, the temperature dependence of the specific specific heat of a cluster consisting of 1055 atoms during melting and solidification has been found. The size dependence of the specific heat of nanoparticles is analyzed.