Effect of the surface on characteristics of amorphization Ni-Ag system

• Main Authors: Aleksei Yur'evich Pryadilshchikov, Aleksandr Timofeevich Kosilov, Evgeniy Vladimirovich Fursov
• Format: Article
• Language: Russian
• Published: Institute of Computer Science 2014-04-01
• Series: Компьютерные исследования и моделирование
• Subjects: metal nanoparticle; molecular dynamics simulation; icosahedron
• Online Access: http://crm.ics.org.ru/uploads/crmissues/crm_2014_2/14207.pdf

Molecular dynamics simulation using the embedded-atom method is applied to study the structural evolution of the particle diameter of 40 Å during the quenching process. Was carried comparative analysis of the structural reconstruction for the particle and the bulk models. Was a reduction in temperature of the beginning and end of the transformation of the particle. In formation of a percolation cluster from interpenetrating and contacting icosahedrons, for model of the particle, it is involved for 10 percent of atoms more, than for model of a bulk.