Dynamics of Vitrification and Crystallization in a Two-dimensional Monatomic System
Dynamics of Vitrification and Crystallization in a Two-dimensional Monatomic System
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二维单原子系统中的玻璃化和结晶动力学
DOI：
10.1143/jpsj.81.024601
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发表时间：
2012
影响因子：
1.7
通讯作者：
Takashi Odagaki
中科院分区：
文献类型：
--
作者：
Tomoko Mizuguchi;Takashi Odagaki
利用分子动力学方法研究了单原子体系的玻璃化和结晶过程，其中原子间通过Lennard-Jones-Gauss势相互作用。LJG系统在相对长的时间内结晶，并在低温下实现长寿命的玻璃态。为了研究玻璃化和结晶的原子机制，我们引入了修正的相关函数来衡量目标结构的结构相关性。我们表明，结晶以上和低于Tmin，结晶时间是最短的，采取不同的路径。我们还确定了自由能景观（FEL），并表明原子动力学是一致的玻璃化转变的FEL图片。
We investigate vitrification and crystallization process of a monatomic system by molecular dynamics simulations, where atoms interact via Lennard-Jones–Gauss (LJG) potential. The LJG system crystallizes over a relatively long time and realizes a long-lived glassy state at low temperatures. In order to examine atomic mechanism of vitrification and crystallization, we introduce modified correlation functions which measure the structural correlation to a target structure. We show that crystallization above and belowTmin, where the crystallization time is the shortest, take different paths. We also determine the free energy landscape (FEL) and show that the atomic dynamics is consistent with the FEL picture of the glass transition.