• 文献标题:   Graphene-Based Resonant Sensors for Detection of Ultra-Fine Nanoparticles: Molecular Dynamics and Nonlocal Elasticity Investigations
  • 文献类型:   Article
  • 作  者:   JALALI SK, NAEI MH, PUGNO NM
  • 作者关键词:   graphene, mass resonant sensor, nonlocal elasticity, molecular dynamics simulation
  • 出版物名称:   NANO
  • ISSN:   1793-2920 EI 1793-7094
  • 通讯作者地址:   Univ Tehran
  • 被引频次:   16
  • DOI:   10.1142/S1793292015500241
  • 出版年:   2015

▎ 摘  要

Application of single layered graphene sheets (SLGSs) as resonant sensors in detection of ultrafine nanoparticles (NPs) is investigated via molecular dynamics (MD) and nonlocal elasticity approaches. To take into consideration the effect of geometric nonlinearity, nonlocality and atomic interactions between SLGSs and NPs, a nonlinear nonlocal plate model carrying an attached mass-spring system is introduced and a combination of pseudo-spectral (PS) and integral quadrature (IQ) methods is proposed to numerically determine the frequency shifts caused by the attached metal NPs. In MD simulations, interactions between carbon-carbon, metal-metal and metal-carbon atoms are described by adaptive intermolecular reactive empirical bond order (AIREBO) potential, embedded atom method (EAM), and Lennard-Jones (L-J) potential, respectively. Nonlocal small-scale parameter is calibrated by matching frequency shifts obtained by nonlocal and MD simulation approaches with same vibration amplitude. The influence of nonlinearity, nonlocality and distribution of attached NPs on frequency shifts and sensitivity of the SLGS sensors are discussed in detail.