Atomistic simulation study of borophene nanotubes

• Main Author: Oh, Moses Ern Cher
• Other Authors: Dong Zhili
• Format: Final Year Project
• Language: English
• Published: 2018
• Subjects: DRNTU::Engineering::Materials
• Online Access: http://hdl.handle.net/10356/73747
• Institution: Nanyang Technological University

With the world getting digitalised and becoming more technologically advanced, there is a demand for better devices and tools to meet our needs. To achieve this, the materials used play a key role, in terms of its capabilities, especially at the nanoscale level. Borophene is a new material discovered recently, and it has the potential to improve current electronic devices. Although there have been research done on borophene, it remains insufficient and there are more properties that are yet to be uncovered. Our focus here is on borophene nanotubes and its mechanical properties. This report covers the following: introduction to borophene and borophene nanotubes, what research has been done, the methodology for the experiments and finally the results collected. The purpose of this project is to simulate the failure mechanisms and uncover the mechanical properties of borophene nanotubes at the atom level. To conduct the simulation, we use the LAMMPS system, together with other software, to plot graphs and images of borophene nanotubes. By varying the temperature and strain rates, we are able to plot the relationship between stress and strain, and from there, deduce the fracture strain, fracture strength and Young’s modulus of borophene nanotubes. These will be further elaborated in the methodology and results sections. Lastly, we will conclude the findings of this project.