Document Type : Original Article

Authors

• Seyed Mehrad Miraghaei Jafari
• Mohammad Mahdi Khatibi
• Aliakbar Emadoddin

Faculty of Mechanical Engineering, Semnan University, Semnan, Iran

Abstract

Two-dimensional nanostructures have recently gained significant importance in various scientific fields. Investigating the potential of materials to serve as nanomechanical sensors is among the newest topics in nanotechnology. This paper employs molecular dynamics simulations to explore this capability for single-layer boron nitride (BN) nanosheets, while also examining their mechanical and vibrational properties. BN sheets were modeled in various dimensions and geometries (square and rectangular) with both armchair and zigzag configurations. Tensile and vibrational tests were conducted to assess the mechanical and vibrational properties of the nanosheets. The vibrational tests were performed under two conditions: the sheet alone and the sheet with external particles attached to its surface. Stress-strain diagrams were used to analyze mechanical properties, and the system''s natural frequencies and mode shapes were extracted using frequency decomposition methods to study vibrational behavior. Finally, to evaluate mass-sensing capability, the process was repeated in the presence of gold particles. The effect of these particles on the frequencies was examined, and the frequency sensitivity of sheets with varying dimensions and different numbers of external particles was calculated. The results indicate that increasing the number of gold particles and the sheet dimensions leads to a reduction in the system''s natural frequency. Furthermore, the sensitivity analysis reveals that for sheets with identical nominal dimensions, the zigzag configuration exhibits higher frequency sensitivity to added mass compared to the armchair orientation. Specifically, sensitivity values increase significantly with the added mass ratio, highlighting the potential of optimized BN nanosheets for high-precision mass sensing applications.

Graphical Abstract

Keywords

• Boron nitride
• molecular dynamics simulation
• mass sensor
• natural frequency
• nanosheet