圆形Janus硫硒化钼板的振动行为分析  

Vibration analysis of circular Janus MoSSe plates

作　　者：刘鑫杰 王立峰[1] Liu Xinjie;Wang Lifeng(State Key Laboratory of Mechanics and Control for Aerospace Structures,Nanjing University of Aeronautics and Astronautics,Nanjing 210016,China)

机构地区：[1]南京航空航天大学航空航天结构力学及控制全国重点实验室,南京210016

出　　处：《Journal of Southeast University(English Edition)》2023年第3期225-232,共8页东南大学学报（英文版）

基　　金：The National Natural Science Foundation of China(No.51921003);the National Science Fund for Distinguished Young Scholars (No.11925205)。

摘　　要：采用分子动力学(MD)模拟和有限元方法(FEM)研究了单层Janus硫硒化钼(MoSSe)的振动行为.将晶格失配引起的固有应变添加到双层板模型中,利用FEM实现了对MoSSe的模拟.利用MD模拟和FEM计算出自由边界和固支边界下MoSSe圆板的振动情况,并分析了尺寸、应变和压力对固有频率的影响.结果表明,自由边界下MoSSe圆板的固有频率随着尺寸的增加而逐渐减小.当圆板直径达到8.6 nm时,频率出现明显的不连续现象,究其原因在于碗状翘曲和管状翘曲.不同尺寸MoSSe圆板的固有频率的MD模拟结果与FEM计算结果一致,且在小变形情况下,2种方法得到的应变与压力对固有频率的影响也一致.双层板模型可以准确预测MoSSe板的振动行为.The vibration behavior of Janus monolayer molybdenum sulfoselenide (MoSSe) was studied based on molecular dynamics (MD) simulations and the finite element method (FEM). MoSSe plates were simulated by FEM through the incorporation of intrinsic strain caused by lattice mismatch to the double-layer plate model. The vibrations of circular MoSSe plates with free boundaries and a clamped edge were determined by MD simulations and FEM. In addition, the effects of plate size, strain, and pressure on the natural frequency of the plates were investigated. The results showed that the natural frequency of the circular MoSSe plate with free boundaries gradually decreased with increasing plate size. Furthermore, a significant discontinuity in frequency was observed due to bowl and tube warpage when the diameter reached 8.6 nm. The MD simulation and FEM calculation results were consistent in terms of the natural frequencies of the circular MoSSe plates of different sizes. In addition, the effects of strain and pressure on the natural frequency determined by the two methods were consistent for small deformations. The vibration of the MoSSe plate could be well predicted by the double-layer plate model.

关 键 词：单层Janus硫硒化钼(MoSSe) 分子动力学(MD) 翘曲 固有频率 

分 类 号：O327[理学—一般力学与力学基础]