摘要
为研究固体材料裂纹扩展的纳观机理,基于纳观尺度,运用分子动力学开源软件LAMMPS对纳观尺度下二氧化硅预制裂纹扩展的力学行为进行研究,建立了超低温下SiO_(2)材料脆性开裂过程分子动力学模拟分析的断裂因子计算方法,有效分析了裂纹尖端起裂开裂过程的能量过程,探究了不同系综对裂纹扩展行为的影响规律.研究结果表明:不同系综下裂纹扩展速率是不同的,NVE系综下裂纹扩展平均速率高于NVT系综;NVT系综允许与外界能量交换,裂纹扩展的计算应力强度因子大于NVE系综的计算值.模拟结果为进行岩石类材料开裂过程的纳观机理探究分析提供了参考.
In order to study the nano-scale mechanism of crack propagation in solid materials,based on the nano-scale,the mechanical behavior of silica prefabricated crack propagation at nano-scale was studied by using molecular dynamics open source software LAMMPS.The fracture factor calculation method of molecular dynamics simulation analysis of brittle cracking process of SiO_(2) material at ultra-low temperature was established.The energy process of crack tip initiation and cracking process was effectively analyzed,and the influence of different ensembles on crack propagation behavior was explored.The results show that the crack growth rates are different under different ensembles,and the average crack growth rate under NVE ensemble is higher than that under NVT ensemble.NVT ensemble allows energy exchange with the outside world,and the calculated stress intensity factor of crack propagation is greater than the calculated value of NVE ensemble.The simulation results provide a reference for the nano-mechanism analysis of rock material cracking process.
作者
朱磊
沈才华
李东彪
李雪松
陈伟
郭金勇
ZHU Lei;SHEN Caihua;LI Dongbiao;LI Xuesong;CHEN Wei;GUO Jinyong(CCCC Nanjing Traffic Engineering Management Co.,Ltd.,Nanjing 211800,China;College of Civil&Transportation Engineering,Hohai Univ.,Nanjing 210098,China)
出处
《三峡大学学报（自然科学版）》
CAS
2021年第6期63-68,共6页
Journal of China Three Gorges University：Natural Sciences
基金
国家自然科学基金重点项目(41830110)。
作者简介
通信作者:沈才华(1976-),男,副研究员,博士,主要从事隧道与地下工程、智慧地下空间、港口码头工程研究.E-mail:shencaihua@hhu.edu.cn。
