Atomic Velocity Distributions and Diffusing Behaviors in a Nano-Alloy Cluster

Chieh Li Chen, Cha'o Kuang Chen, Shing Cheng Chang

Research output: Contribution to journalArticlepeer-review


This paper studies the velocity distributions and diffusing behaviors of the atoms in a nano-alloy cluster. A series of ternary alloy clusters, Au 50Cu 25Ni 25, and binary alloy clusters, Cu 100-aNi a are introduced in the molecular dynamics simulations. The velocity distributions of different types of atoms in both static and moving clusters are found to obey the Maxwell's velocity distribution with the individual mass of atoms and the inner temperature of clusters. Furthermore, the velocity distribution of whole atoms of the cluster is obtained by synthesizing the velocity distributions of compositions in the cluster according to the proportions. The consistency of the atomic motions in a moving cluster is discussed by inspecting the backward velocities of atoms, which are correlated to the translational velocity and the inner temperature of the cluster. The diffusing behaviors of the atoms in a cluster are also investigated from a viewpoint of the interatomic interactions, i. e. Cu atoms enhance the activities of Ni atoms, or Ni atoms reduce that of Cu atoms in the alloy clusters.

Original languageEnglish
Pages (from-to)537-554
Number of pages18
JournalJournal of Cluster Science
Issue number3
Publication statusPublished - 2011 Sep

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Biochemistry
  • Materials Science(all)
  • Condensed Matter Physics


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