arXivDaily arXiv每日学术速递 周一至周五更新
arXiv周末暂无论文更新,休息一下吧,周末愉快~~
arXiv 0810.2073cond-mat.mes-hall
收藏

尺寸相关熔化:声子谱的数值计算

Size-dependent melting: Numerical calculations of the phonon spectrum

Kai Kang, Shaojing Qin, Chuilin Wang

摘要:

为了阐明纳米粒子的声子谱与其熔化温度之间的关系,我们详细研究了纳米粒子的尺寸依赖的低能振动模式。一个最小模型与原子上的晶格和相邻原子的谐波势被用来揭示一个一般的行为。通过计算一系列不同尺寸的两种晶格类型的纳米粒子的声子谱,发现随着纳米粒子尺寸的减小,低能模的密度增加,这种密度的增加导致了熔化温度的降低。声子谱的尺寸依赖性行为解释了精细尺度上的表面预熔化和不规则熔化温度的典型性质。这些结果表明,我们的最小模型捕捉到了纳米颗粒的主要物理特性。因此,某些类型的纳米颗粒的更多物理特性可以通过声子和微观势模型给出。

英文摘要:

In order to clarify the relationship between the phonon spectra of nanoparticles and their melting temperature, we studied in detail the size-dependent low energy vibration modes. A minimum model with atoms on a lattice and harmonic potentials for neighboring atoms is used to reveal a general behavior. By calculating the phonon spectra for a series of nanoparticles of two lattice types in different sizes, we found that density of low energy modes increases as the size of nanoparticles decreases, and this density increasing causes decreasing of melting temperature. Size-dependent behavior of the phonon spectra accounts for typical properties of surface-premelting and irregular melting temperature on fine scales. These results show that our minimum model captures main physics of nanoparticles. Therefore, more physical characteristics for nanoparticles of certain types can be given by phonons and microscopic potential models.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

↑