Analysis of the Vibrational Characteristics of Diamane Nanosheet based on the Kirchhof Plate Model and Atomistic Simulations
Zhuoqun Zheng, Fengyu Deng, Zhu Su, Haifei Zhan, Lifeng Wang
Abstract: Single layer diamond—diamane, has been reported with excellent mechanical properties. In this work, molecular dynamics (MD) simulation and Kirchhof plate model are utilized to investigate the vibrational characteristics of diamane sheets. The mechanical parameters of diamane sheets, including bending stifness, Young’s modulus, Poisson’s ratio and coeffcient of thermal expansion, are calibrated by using MD simulations. The natural frequencies and corresponding modal shapes of the diamane sheets predicted by the Kirchhof plate model agree well with that obtained from the MD simulations. It is found that the edges exert marginal efect on the modal shapes when free boundary conditions are applied. Additionally, the Kirchhof plate model considering the thermal expansion provides reasonable prediction for the natural frequencies of the diamane sheets with all boundary clamped under varying temperatures. This study ofers valuable insights into the vibrational properties of diamane sheets, from both a simulation and theoretical standpoint. The fndings would be benefcial for the design of nanoscale mechanical resonators utilizing these novel carbon materials.
文章链接：https://link.springer.com/article/10.1186/s11671-023-03887-5
