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Tensile properties of pillared graphene block
Materials Science and Engineering: B ( IF 3.9 ) Pub Date : 2020-04-27 , DOI: 10.1016/j.mseb.2020.114557
Hesam Amiri , Jamshid Aghazadeh Mohandesi , Pirooz Marashi

Tensile properties of pillared graphene block (PGB) nanostructure are studied in this paper. This nanostructure is composed of four pillared graphene nanostructures connected to each other in a special order which preserves the honeycomb molecular bond order of graphene. Molecular dynamics simulations using AIREBO potential are utilized to investigate the tensile properties and thermodynamic stability of the nanostructure. Four structural parameters are defined for PGB nanostructure. By assigning different values to these geometrical parameters, 28 prototypes are virtually produced. Potential energy profile of each sample is traced to evaluate thermodynamic stability. After relaxation of the nanostructures, virtual uniaxial tensile tests are applied to assess the tensile properties in three dimensions. Young's modulus, fracture strength and fracture strain for each sample are obtained. All samples are thermodynamically stable having high Young's modulus and fracture strength. The strongest sample has fracture strength of 21.5 GPa and Young's modulus of 144 GPa.



中文翻译:

柱状石墨烯嵌段的拉伸性能

研究了柱状石墨烯嵌段(PGB)纳米结构的拉伸性能。该纳米结构由四个以特殊顺序相互连接的带柱状石墨烯纳米结构组成,可以保持石墨烯的蜂窝分子键顺序。利用AIREBO势的分子动力学模拟被用来研究纳米结构的拉伸性能和热力学稳定性。为PGB纳米结构定义了四个结构参数。通过为这些几何参数分配不同的值,虚拟生产了28个原型。追踪每个样品的势能曲线以评估热力学稳定性。纳米结构松弛后,进行虚拟单轴拉伸试验,以评估三维拉伸性能。杨氏模量 获得每个样品的断裂强度和断裂应变。所有样品都是热力学稳定的,具有高的杨氏模量和断裂强度。最强的样品的断裂强度为21.5 GPa,杨氏模量为144 GPa。

更新日期:2020-04-27
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