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题名: The influence of surface boundary conditions on the phonon contribution to the melting temperature of nanoparticles
作者: Xu, YY ;  Kang, K ;  Qin, SJ
刊名: PHYSICA B-CONDENSED MATTER
出版日期: 2016
卷号: 481, 页码:133-136
关键词: Melting temperature ;  Nano-particle ;  Surface boundary condition ;  Upper bound
学科分类: Physics
DOI: http://dx.doi.org/10.1016/j.physb.2015.11.003
通讯作者: Xu, YY (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. Unlike in periodic boundary condition, under a general boundary condition the integration volume of low energy phonon for a nano-particle is more complex. We estimate the size-dependent melting temperature through the phase shift of the low energy phonon mode acquired by its scattering on boundary surface. A nano-particle can have either a rising or a decreasing melting temperature due to the boundary condition effect, and we found that an upper melting temperature bound exists for a nano-particle in various environments. Moreover, the melting temperature under a fixed boundary condition sets this upper bound. (C) 2015 Elsevier B.V. All rights reserved.
类目[WOS]: Physics, Condensed Matter
关键词[WOS]: NANOCRYSTALS ;  SIMULATION ;  MATRIX ;  PARTICLES
收录类别: SCI
项目资助者: [NNSF1121403]
语种: 英语
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/21803
Appears in Collections:理论物理所2016年知识产出_期刊论文

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Recommended Citation:
Xu, YY,Kang, K,Qin, SJ. The influence of surface boundary conditions on the phonon contribution to the melting temperature of nanoparticles[J]. PHYSICA B-CONDENSED MATTER,2016,481:133-136.
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