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题名: Can Nano-Particle Melt below the Melting Temperature of Its Free Surface Partner?
作者: Sui, XH;  Wang, ZG;  Kang, K;  Qin, SJ;  Wang, CL
刊名: COMMUNICATIONS IN THEORETICAL PHYSICS
出版日期: 2015
卷号: 63, 期号:2, 页码:249-254
关键词: nano-particle ;  quantum size effect ;  boundary condition effect ;  size-dependent melting
学科分类: Physics
通讯作者: Sui, XH (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
文章类型: Article
英文摘要: The phonon thermal contribution to the melting temperature of nano-particles is inspected. The discrete summation of phonon states and its corresponding integration form as an approximation for a nano-particle or for a bulk system have been analyzed. The discrete phonon energy levels of pure size effect and the wave-vector shifts of boundary conditions are investigated in detail. Unlike in macroscopic thermodynamics, the integration volume of zero-mode of phonon for a nano-particle is not zero, and it plays an important role in pure size effect and boundary condition effect. We find that a nano-particle will have a rising melting temperature due to purely finite size effect; a lower melting temperature bound exists for a nano-particle in various environments, and the melting temperature of a nano-particle with free boundary condition reaches this lower bound. We suggest an easy procedure to estimation the melting temperature, in which the zero-mode contribution will be excluded, and only several bulk quantities will be used as input. We would like to emphasize that the quantum effect of discrete energy levels in nano-particles, which is not present in early thermodynamic studies on finite size corrections to melting temperature in small systems, should be included in future researches.
类目[WOS]: Physics, Multidisciplinary
关键词[WOS]: METALLIC NANOPARTICLES ;  MOLECULAR-DYNAMICS ;  SIZE DEPENDENCE ;  GOLD PARTICLES ;  POINT ;  NANOCRYSTALS ;  SIMULATION ;  BEHAVIOR
收录类别: SCI
项目资助者: National Natural Science Foundation of China [1121403]
语种: 英语
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/21101
Appears in Collections:理论物理所2015年知识产出_期刊论文

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Recommended Citation:
Sui, XH,Wang, ZG,Kang, K,et al. Can Nano-Particle Melt below the Melting Temperature of Its Free Surface Partner?[J]. COMMUNICATIONS IN THEORETICAL PHYSICS,2015,63(2):249-254.
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