Molecular Dynamics Investigation of Differences in Melting Behaviors of Cu57 and Cu58 Clusters

被引:8
|
作者
Zhang, Lin [1 ]
Sun, Hai-xia [1 ]
机构
[1] Northeastern Univ, Coll Sci, Inst Mat Phys & Chem, Shenyang 110004, Peoples R China
关键词
Molecular dynamics; Cluster; Surface; Melting; LOCAL-STRUCTURE CHANGES; CU; DIFFUSION;
D O I
10.1088/1674-0068/22/01/69-74
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
Within the framework of the embedded-atom method, we performed molecular-dynamics calculations to investigate the structural transformation during melting of two copper clusters containing 57 and 58 atoms. The simulation results reveal how their different structural changes can strongly influence internal energy and radial distribution functions. The local structural patterns of different regions during the temperature increase, determined by atom density profiles, are identified for the melting of each cluster. The simulations show sensitivities of the structural changes for these two small size clusters with different structures.
引用
收藏
页码:69 / 74
页数:6
相关论文
共 50 条
  • [21] Molecular dynamics simulations on the melting, crystallization, and energetic reaction behaviors of Al/Cu core-shell nanoparticles
    Cheng, Xin-Lu
    Zhang, Jin-Ping
    Zhang, Hong
    Zhao, Feng
    JOURNAL OF APPLIED PHYSICS, 2013, 114 (08)
  • [22] Molecular-dynamics investigation of structural transformations of a Cu201 cluster in its melting process
    Zhang, Lin
    Zhang, Cai-Bei
    Qi, Yang
    PHYSICA B-CONDENSED MATTER, 2009, 404 (02) : 205 - 209
  • [23] Shock melting method to determine melting curve by molecular dynamics: Cu, Pd, and Al
    Liu, Zhong-Li
    Zhang, Xiu-Lu
    Cai, Ling-Cang
    JOURNAL OF CHEMICAL PHYSICS, 2015, 143 (11):
  • [24] Molecular Dynamics Simulation of the Melting and Coalescence in the Mixed Cu–Ni Nanoclusters
    Guojian Li
    Qiang Wang
    Tie Liu
    Kai Wang
    Jicheng He
    Journal of Cluster Science, 2010, 21 : 45 - 55
  • [25] Molecular dynamics simulation of strain effects on surface melting for metal Cu
    Wang, HL
    Wang, XX
    Lang, HY
    ACTA PHYSICA SINICA, 2005, 54 (10) : 4836 - 4841
  • [26] Molecular Dynamics Simulation of the Coalescence and Melting Process of Cu and Ag Nanoparticles
    Guo, Hui
    Zhang, LinFu
    Zhu, Qiang
    Wang, ChuanJie
    Chen, Gang
    Zhang, Peng
    ADVANCES IN CONDENSED MATTER PHYSICS, 2021, 2021
  • [27] Long-time scale molecular dynamics study of diffusion dynamics of small Cu clusters on Cu(111) surface
    Yang, Jianyu
    Hu, Wangyu
    Tang, Jianfeng
    Xu, Maichang
    JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (06): : 2074 - 2078
  • [28] Superheating and melting behaviors of Ag clusters with Ni coating studied by molecular dynamics and experiments
    徐枫亭
    钟健
    金朝辉
    卢柯
    Science in China(Series E:Technological Sciences), 2001, (04) : 432 - 440
  • [29] Superheating and melting behaviors of Ag clusters with Ni coating studied by molecular dynamics and experiments
    Fengting Xu
    Jian Zhong
    Zhaohui Jin
    Ke Lu
    Science in China Series E: Technological Sciences, 2001, 44 : 432 - 440
  • [30] Superheating and melting behaviors of Ag clusters with Ni coating studied by molecular dynamics and experiments
    Xu, FT
    Zhong, J
    Jin, ZH
    Lu, K
    SCIENCE IN CHINA SERIES E-TECHNOLOGICAL SCIENCES, 2001, 44 (04): : 432 - 440