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Author:

Zhang, Jian-Min (Zhang, Jian-Min.) | Chen, Gou-Xiang (Chen, Gou-Xiang.) | Xu, Ke-Wei (Xu, Ke-Wei.)

Indexed by:

SCIE Scopus EI

Abstract:

Combining molecular dynamic (MD) simulation with modified analytic embedded-atom method (MAEAM) potential, the formation, migration and activation energies have been calculated for four-kind migrations of Cu vacancy and three-kind migrations of Ag vacancy in Cu-Ag immiscible alloy system. The equilibrium concentration of Cu vacancies is greater than that of Ag vacancies owing to the formation energy of Cu vacancy (1.012 eV) is lower than that of Ag vacancy (1.169 eV). Comparing the migration or activation energy needed for four-kind migrations of Cu vacancy and three-kind migrations of Ag vacancy show that the favorable migration mechanism is the nearest-neighbor (NN) jump for Cu vacancy, while the straight [010] six-jump cycle (6JC) for Ag vacancy. Furthermore, the activation energy of the NN jump of Cu vacancy (2.164 eV) is lower than that of straight [010] 6JC of Ag vacancy (2.404 eV) also show that the former is more favorable. We conclude accordingly that the primary migration mechanism is the NN jump of an abundance of Cu vacancies. (c) 2006 Elsevier B.V. All rights reserved.

Keyword:

Cu-Ag immiscible alloy system MAEAM self-diffusion vacancy

Author Community:

  • [ 1 ] Shaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710062, Shaanxi, Peoples R China
  • [ 2 ] Xian Jiaotong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China

Reprint Author's Address:

  • Shaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710062, Shaanxi, Peoples R China.

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Source :

JOURNAL OF ALLOYS AND COMPOUNDS

ISSN: 0925-8388

Year: 2006

Issue: 1-2

Volume: 425

Page: 169-175

1 . 2 5

JCR@2006

5 . 3 1 6

JCR@2020

ESI Discipline: MATERIALS SCIENCE;

JCR Journal Grade:2

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 13

SCOPUS Cited Count: 15

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

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