Molecular dynamics study on structure stability, lattice variation, and melting behavior of silver nanoparticles
作者: L. ChenQ. WangL. Xiong
作者单位: 1Nanchang Hangkong University
刊名: Journal of Nanoparticle Research, 2017, Vol.19 (9)
来源数据库: Springer Journal
DOI: 10.1007/s11051-017-4003-7
关键词: Silver nanoparticlesStructure stabilityLattice variationMelting behaviorMolecular dynamics studyModeling and simulation
英文摘要: Molecular dynamics simulation is used to comparatively investigate the structure stability, lattice variation, and surface energy of Ag nanoparticles. It is revealed that the most stable structure of shapes transformed from an octahedron to a cuboctahedron with the cluster size increasing, and the energetically larger lattice contraction of particles should have higher surface energy. Simulation also shows that the cubic shapes have contributed highly to the lattice contractions of particles, and the lattice constants of octahedral shapes are the nearest to bulk Ag. In addition, a systematic work on the melting behavior of polyhedral shapes is carried out by shape factor, and the surface energy-dependent shape evolution of Ag particles is revealed. The present results agree well with...
原始语种摘要: Molecular dynamics simulation is used to comparatively investigate the structure stability, lattice variation, and surface energy of Ag nanoparticles. It is revealed that the most stable structure of shapes transformed from an octahedron to a cuboctahedron with the cluster size increasing, and the energetically larger lattice contraction of particles should have higher surface energy. Simulation also shows that the cubic shapes have contributed highly to the lattice contractions of particles, and the lattice constants of octahedral shapes are the nearest to bulk Ag. In addition, a systematic work on the melting behavior of polyhedral shapes is carried out by shape factor, and the surface energy-dependent shape evolution of Ag particles is revealed. The present results agree well with...
全文获取路径: Springer  (合作)
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来源刊物:
影响因子:2.175 (2012)

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关键词翻译
关键词翻译
  • lattice 
  • variation 变异
  • structure 构造
  • stability 稳定性
  • study 学习
  • silver 
  • dynamics 动力学
  • melting 熔化
  • polyhedral 多面体的
  • surface