ITP OpenIR  > 理论物理所2015年知识产出
Can Nano-Particle Melt below the Melting Temperature of Its Free Surface Partner?
Sui, XH; Wang, ZG; Kang, K; Qin, SJ; Wang, CL; Sui, XH (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
2015
发表期刊COMMUNICATIONS IN THEORETICAL PHYSICS
卷号63期号:2页码:249-254
文章类型Article
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.
关键词Nano-particle Quantum Size Effect Boundary Condition Effect Size-dependent Melting
学科领域Physics
资助者National Natural Science Foundation of China [1121403] ; National Natural Science Foundation of China [1121403] ; National Natural Science Foundation of China [1121403] ; National Natural Science Foundation of China [1121403]
关键词[WOS]METALLIC NANOPARTICLES ; MOLECULAR-DYNAMICS ; SIZE DEPENDENCE ; GOLD PARTICLES ; POINT ; NANOCRYSTALS ; SIMULATION ; BEHAVIOR
收录类别SCI
语种英语
资助者National Natural Science Foundation of China [1121403] ; National Natural Science Foundation of China [1121403] ; National Natural Science Foundation of China [1121403] ; National Natural Science Foundation of China [1121403]
WOS类目Physics, Multidisciplinary
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/21101
专题理论物理所2015年知识产出
通讯作者Sui, XH (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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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.
APA Sui, XH,Wang, ZG,Kang, K,Qin, SJ,Wang, CL,&Sui, XH .(2015).Can Nano-Particle Melt below the Melting Temperature of Its Free Surface Partner?.COMMUNICATIONS IN THEORETICAL PHYSICS,63(2),249-254.
MLA Sui, XH,et al."Can Nano-Particle Melt below the Melting Temperature of Its Free Surface Partner?".COMMUNICATIONS IN THEORETICAL PHYSICS 63.2(2015):249-254.
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