以缺陷石墨烯撕裂性能微观机理提升材料力学实验的内涵

Enhancing the Connotation of Material Mechanics Experiment by Microscopic Mechanism of Defect Graphene Tearing Performance

材料力学性质的测量是材料类、机械类及土木类专业学生必备的一项基本技能,但材料应力产生的机理却在材料力学实验中未能充分展现。为实验过程中可由原子分子层面直观展示材料撕裂过程的原子位移及受力变化从而更深层次挖掘材料力学实验的内涵及微观尺度表现以提高学生对材料力学的微观机理的深入了解,本文设计了基于分子动力学典型二维材料缺陷石墨烯的撕裂仿真实验。实验采用分子动力学方法对完美及含单原子空位缺陷和双原子空位缺陷的单层锯齿型和扶手椅型石墨烯撕裂力学性能及变形机制进行分子动力学模拟研究。通过拉伸过程中原子位移及受力的直观演示,可以提高材料力学的教学质量,增强学生对力学产生的原因的更深层次的理解。

The measurement of the mechanical properties of materials is a basic skill which is necessary for materials, mechanical and civil engineering students, but the mechanism of material stress is not fully demonstrated in the material mechanics experiments. In the process of experiment, the atomic displacement and force change of the material tearing process can be visually displayed at the atomic and molecular level to further explore the connotation and microscopic scale perfor-mance of the material mechanics experiment to improve students’ in-depth understanding of the microscopic mechanism of material mechanics. This paper designs a tear simulation experiment based on typical two-dimensional material defect graphene of molecular dynamics. Molecular dy-namics simulation of the mechanical properties and deformation mechanism of perfect single-layer sawtooth and armchair-type graphene tears with single-atomic vacancy defects and diatomic vacancy defects was carried out by molecular dynamics. Through the visual demonstration of atomic displacement and force during the stretching process, the teaching quality of material mechanics can be improved, and students’ deeper understanding of the causes of mechanics can be enhanced.