228 高温引張下における単層カーボンナノチューブの超塑性構造遷移シミュレーション(OS15.電子・原子・マルチシミュレーションに基づく材料特性評価(8),オーガナイズドセッション)

Abstract

In this study, molecular dynamics simulations were carried out on the super-plastic elongation of single-walled carbon nanotubes (SWNT) under tensile stress at high temperature, referring to the experimental results recently reported. Under a constant tensile velocity, plastic deformation was realized at temperatures above 2400 K, and structural transitions keeping defect-free hexagonal network without necking was achieved at 3000 K. At this high temperature, induced defects were smoothly transformed into pentagon-heptagonal defects propagating toward the helical direction, and that lead to the systematic decrease in the SWNT radius with changing the tube chirality.