Atomic insights into the tensile behavior of carbon nanotube with different geometrical characteristics embedded in nickel matrix

Abstract

Carbon nanotubes (CNTs) extensively serve as reinforcements in metal matrix nanocomposites because of their superior mechanical properties. In this paper, we have performed a qualitative analysis of carbon nanotubes with different geometrical properties embedded in a nickel matrix to predict tensile behavior and mechanical properties via molecular dynamics simulations. The effects of CNT rotate angle, long-short CNT and CNT number on the deformation mechanism, Young's modulus and ultimate tensile strength (UTS) were investigated. The different rotation angles of CNTs significantly affect the deformation mechanisms and mechanical properties of CNT/Ni nanocomposites. For the long CNT/Ni composites, when the rotate angle is 0°, the Young's modulus and UTS are the smallest, which are 233.03 GPa and 10.68 GPa, respectively. When the rotate angle is 15°, the elastic modulus and UTS are the largest, which are 252.9 GPa and 15.63 GPa, which increase by 8.5 % and 46.3 %, respectively. For the short CNT/Ni composites, when the rotate angle is increased from 0°to 90°, its mechanical properties first decrease and then increase. The distribution of long and short CNTs significantly modifies the deformation pattern of the nickel matrix. Increasing number of CNTs improves Young's modulus and UTS of CNT/Ni nanocomposites.