Zheng Zhuoqun, Deng Fengyu, Su Zhu, Zhan Haifei, Wang Lifeng
State Key Laboratory of Mechanics and Control for Aerospace Structures, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016, China.
College of Civil Engineering and Architecture, Zhejiang University, Hangzhou, 310058, China.
Discov Nano. 2023 Aug 31;18(1):108. doi: 10.1186/s11671-023-03887-5.
Single layer diamond-diamane, has been reported with excellent mechanical properties. In this work, molecular dynamics (MD) simulation and Kirchhoff plate model are utilized to investigate the vibrational characteristics of diamane sheets. The mechanical parameters of diamane sheets, including bending stiffness, Young's modulus, Poisson's ratio and coefficient of thermal expansion, are calibrated by using MD simulations. The natural frequencies and corresponding modal shapes of the diamane sheets predicted by the Kirchhoff plate model agree well with that obtained from the MD simulations. It is found that the edges exert marginal effect on the modal shapes when free boundary conditions are applied. Additionally, the Kirchhoff 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 offers valuable insights into the vibrational properties of diamane sheets, from both a simulation and theoretical standpoint. The findings would be beneficial for the design of nanoscale mechanical resonators utilizing these novel carbon materials.
单层二亚甲基二胺金刚石已被报道具有优异的机械性能。在这项工作中，利用分子动力学（MD）模拟和基尔霍夫板模型来研究二亚甲基二胺片材的振动特性。通过MD模拟校准了二亚甲基二胺片材的力学参数，包括弯曲刚度、杨氏模量、泊松比和热膨胀系数。基尔霍夫板模型预测的二亚甲基二胺片材的固有频率和相应的模态形状与MD模拟得到的结果吻合良好。研究发现，当采用自由边界条件时，边缘对模态形状的影响很小。此外，考虑热膨胀的基尔霍夫板模型为在不同温度下所有边界均被夹紧的二亚甲基二胺片材的固有频率提供了合理的预测。本研究从模拟和理论角度为二亚甲基二胺片材的振动特性提供了有价值的见解。这些发现将有助于利用这些新型碳材料设计纳米级机械谐振器。
