The role of the atomic force function in molecular mechanics simulations for carbon nanostructures

2nd International Conference on Competitive Materials and Technological Processes

Pataki, T.^1 ; Zsoldos, I.^2

Szent István University, Faculty of Mechanical Engineering, Pater K. u. 1, 2100 Gödöllö, Hungary^1

Széchenyi István University, Faculty of Engineering Sciences, Egyetemtér 1, 9026 Györ, Hungary^2

关键词: Atomic force;    Carbon Nanostructures;    Failure process;    Molecular mechanics simulation;    Numerical tests;    Y-junctions;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/47/1/012035/pdf
DOI  :  10.1088/1757-899X/47/1/012035

来源: IOP

【 摘 要 】

Molecular mechanics studies were performed on structures consisting of Y junctions of carbon nanotubes. Tensile simulations were run on the same structure, wherein atomic force functions of various shape were used. According to the numerical test results the behavior of the structure, the failure site and the failure process could be determined irrespective of the shape of the force function.