THE INVESTIGATION OF THE STRUCTURAL CHARACTERISTICS OF THE METAL NANOCLUSTERS IN MELTING/CRYSSTALLIZATION PROCESS USING MANY-BODY GUPTA POTENTIAL

Abstract

In this work the investigation of the structural characteristics of the gold nanoclusters in the melting/crystallization process has been carried out. The possibility of the determination of the phase transition temperature has been shown by the temperature dependence of the mean value of the first coordination number. The process of the forming FCC/HCP structures for gold nanoclusters during melting and crystallization has been described.

Keywords

• gold nanoclusters
• melting and crystallization
• Monte-Carlo method
• Gupta potential
• first coordination number
• local density
• FCC structure
• HCP structure