EFFECT OF EXTERNAL PRESSURE ON THE PHASE TRANSITION TEMPERATURE IN BIMETALLIC ARGENTIC NANOPARTICLES

Abstract

In this paper, a series of computer experiments on heating of clusters in the form of a truncated box is made by a molecular dynamics method ( NPT ensemble). Clusters of the stoichiometric compositions AB and A3B were investigated for Cu-Ag and Au-Ag bimetallic systems. We used a modified many-body tight-binding potential. It was found that the temperature range of the structural stability for bimetallic nanoparticles (nanoalloys) have combined influence of the following factors: nanoparticle size and initial geometric form, nanoparticle composition, type and degree of atomic ordering, external pressure.

Keywords

• external pressure
• melting temperature
• structural phase transition
• bimetallic clusters
• «core-shell» structure
• silver nanoparticles
• molecular dynamics method