面向质量探测的单层金刚石片振动的分子动力学研究

Molecular Dynamics Study on the Vibrations of Diamane Nanosheet for Mass Detection

单层金刚石作为近年来新合成的二维纳米材料具有优异的物理性能,在纳米质量传感器方面有巨大的应用前景.本文采用分子动力学模拟和连续介质理论方法系统研究了带附着质量的单层金刚石片的振动特性,并与单层石墨烯板的结果进行对比.结果表明,单层金刚石和单层石墨烯的固有频率随附着质量的增大而减小.相同尺寸下,单层金刚石比单层石墨烯具有更高的质量灵敏度.预应变会对材料的固有频率产生较大的影响,增加预应变可以显著提高单层金刚石的固有频率,并提升单层金刚石的灵敏度.附着质量的位置也会对固有频率产生影响,当靠近中间时,频移会达到最大值,而附着质量靠近固支边缘时,几乎不会对固有频率产生影响.

Diamane,as a recently synthesized two-dimensional nanomaterial,has excellent physical properties and enormous application prospects in the field of nano mass sensors.Based on molecular dynamics simulations and continuum theory,this article systematically studied the vibration characteristics of diamane nanosheet with attached mass.The results are compared with those of single-layer graphene nanosheet.It is found that the natural frequencies of diamane and single-layer graphene decrease with increasing attached mass.Under the same size,diamane has higher mass sensitivity than single-layer graphene.Pre-strain has a significant impact on the natural frequency of the structure.Increasing pre-strain can significantly increase the natural frequency of diamane and enhance their sensitivity.The position of the attached mass also affects the natural frequency.When it is close to the middle,the frequency shift reaches its maximum value,while when the attached mass is close to the fixed edge,it has almost no effect on the natural frequency.