Structural relaxation time and dynamic shear modulus of glassy graphene
Structural relaxation time and dynamic shear modulus of glassy graphene
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DOI：
10.1016/j.jnoncrysol.2020.120024
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发表时间：
2020-03
影响因子：
3.5
通讯作者：
Tran Dinh Cuong;A. D. Phan;K. Wakabayashi;P. T. Huy
中科院分区：
文献类型：
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作者：
Tran Dinh Cuong;A. D. Phan;K. Wakabayashi;P. T. Huy
我们从理论上研究了玻璃态石墨烯在较宽温度范围内的玻璃化转变行为，其中这种无定形石墨烯被描述为硬球流体。粒子的动态停滞被认为是由其最近的邻居和周围流体粒子的相互作用引起的。该假设使我们能够分析局部和集体粒子迁移率的作用。我们计算了结构松弛时间和动态剪切模量、动态脆性和玻璃化转变温度的温度依赖性。此外，还全面讨论了这些物理量之间的相关性。我们的理论计算在数量上与最近的模拟和戴尔的推挤模型非常吻合。
We theoretically investigate glass transition behaviors of the glassy graphene in a wide range of temperature, where this amorphous graphene is described as a hard-sphere fluid. The dynamic arrest of a particle is assumingly caused by interactions with its nearest neighbors and surrounding fluid particles. The assumption allows us to analyze roles of local and collective particle mobility. We calculate the temperature dependence of structural relaxation time and dynamic shear modulus, the dynamic fragility, and the glass transition temperature. In addition, correlations between these physical quantities are comprehensively discussed. Our theoretical calculations agree quantitatively well with recent simulations and Dyre’s shoving model.