中国物理B ›› 2016, Vol. 25 ›› Issue (9): 96104-096104.doi: 10.1088/1674-1056/25/9/096104

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Monte Carlo simulation of asymmetrical growth of cube-shaped nanoparticles

Yuanyuan Wang(王元元), Huaqing Xie(谢华清), Zihua Wu(吴子华), Jiaojiao Xing(邢姣娇)   

  1. School of Environmental and Materials Engineering, Shanghai Polytechnic University, Shanghai 201209, China
  • 收稿日期:2016-03-24 修回日期:2016-05-17 出版日期:2016-09-05 发布日期:2016-09-05
  • 通讯作者: Huaqing Xie E-mail:hqxie@sspu.edu.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No. 51406111), the Major Program of the National Natural Science Foundation of China (Grant No. 51590902), the Natural Science Foundation of Shanghai, China (Grant No. 14ZR1417000), the Scientific Innovation Project of Shanghai Education Committee, China (Grant No. 15ZZ100), and Young Eastern Scholar of Shanghai, China (Grant No. QD2015052).

Monte Carlo simulation of asymmetrical growth of cube-shaped nanoparticles

Yuanyuan Wang(王元元), Huaqing Xie(谢华清), Zihua Wu(吴子华), Jiaojiao Xing(邢姣娇)   

  1. School of Environmental and Materials Engineering, Shanghai Polytechnic University, Shanghai 201209, China
  • Received:2016-03-24 Revised:2016-05-17 Online:2016-09-05 Published:2016-09-05
  • Contact: Huaqing Xie E-mail:hqxie@sspu.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No. 51406111), the Major Program of the National Natural Science Foundation of China (Grant No. 51590902), the Natural Science Foundation of Shanghai, China (Grant No. 14ZR1417000), the Scientific Innovation Project of Shanghai Education Committee, China (Grant No. 15ZZ100), and Young Eastern Scholar of Shanghai, China (Grant No. QD2015052).

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摘要： We simulated the asymmetrical growth of cube-shaped nanoparticles by applying the Monte Carlo method. The influence of the specific mechanisms on the crystal growth of nanoparticles has been phenomenologically described by efficient growth possibilities along different directions (or crystal faces). The roles of the thermodynamic and kinetic factors have been evaluated in three phenomenological models. The simulation results would benefit the understanding about the cause and manner of the asymmetrical growth of nanoparticles.

关键词: cube-shaped nanoparticles, asymmetrical growth, Monte Carlo simulation

Abstract: We simulated the asymmetrical growth of cube-shaped nanoparticles by applying the Monte Carlo method. The influence of the specific mechanisms on the crystal growth of nanoparticles has been phenomenologically described by efficient growth possibilities along different directions (or crystal faces). The roles of the thermodynamic and kinetic factors have been evaluated in three phenomenological models. The simulation results would benefit the understanding about the cause and manner of the asymmetrical growth of nanoparticles.

Key words: cube-shaped nanoparticles, asymmetrical growth, Monte Carlo simulation

中图分类号:  (Nanotubes)

  • 61.46.Fg
61.46.Km (Structure of nanowires and nanorods (long, free or loosely attached, quantum wires and quantum rods, but not gate-isolated embedded quantum wires)) 61.43.Bn (Structural modeling: serial-addition models, computer simulation)