Can Nano-Particle Melt below the Melting Temperature of Its Free Surface Partner?
文献类型：期刊论文
| 作者 | Sui, XH; Wang, ZG; Kang, K; Qin, SJ ; Wang, CL
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| 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 |
| 通讯作者 | Sui, XH (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China. |
| 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. |
| 学科主题 | Physics |
| 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 |
| 语种 | 英语 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/21101]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
| 推荐引用方式 GB/T 7714 | 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.(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. |
入库方式： OAI收割
来源：理论物理研究所
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