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Influences of cooling rate on formation of amorphous germanene
Physica E: Low-dimensional Systems and Nanostructures ( IF 2.9 ) Pub Date : 2020-10-08 , DOI: 10.1016/j.physe.2020.114492
Nguyen Hoang Giang , Vo Van Hoang

In this work, we study thoroughly influences of cooling rate on the formation of two-dimensional (2D) germanene via molecular dynamics simulation using atomistic models composed of 104 atomic Ge atoms with the Stillinger - Weber potential. This influence is studied through the changes in the thermodynamic and structural properties of the model. We find that the relatively good quality amorphous germanene is formed at a cooling rate of 1013 K s−1 with the glass transition temperature of 1210 K. The structural properties of 2D amorphous germanene are discussed through radial distribution function, coordination number, ring, interatomic-distance, and angle distribution.



中文翻译:

冷却速度对无定形锗烯形成的影响

在这项工作中,我们通过使用由10 4个原子Ge原子和Stillinger-Weber势组成的原子模型,通过分子动力学模拟,彻底研究了冷却速率对二维(2D)锗烯形成的影响。通过模型的热力学和结构特性的变化来研究这种影响。我们发现,在冷却速率为10 13  K s -1且玻璃化转变温度为1210 K时,形成了质量相对较高的非晶锗。通过径向分布函数,配位数,环,原子间距离和角度分布。

更新日期:2020-10-29
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