International Scholarly Research Notices / 2014 / Article / Tab 2 / Research Article
Study of the Nanomechanics of CNTs under Tension by Molecular Dynamics Simulation Using Different Potentials Table 2 Elastic, elastic-plastic properties of a single-walled CNT by the tension test (tension test is carried out by applying velocity of some atoms at both ends of the CNT, 20 m/s).
Potentials
, GPa
, GPa
, GPa
Single-walled 12-12 CNT 9.1 Airebo [29 ] 912.20 112.8916 0.223 169.7363 0.3167 0.35680 Tersoff [10 ] 1097.5 115.0750 0.1754 155.32130 0.26110 0.26110 Rebo [11 ] 883.42 110.8912 0.2136 214.5082 0.357 0.35457 Rebo [31 ] 896.68 112.6569 0.225 196.18111 0.35500 — Inclusion
with Rebo [11 ] 897.92 114.5128 0.2342 181.86681 0.31920 — 4.51 Airebo [29 ] 935.07 114.45180 0.23530 161.25031 0.31590 0.29046 Tersoff 1107.7 120.3995 0.2005 147.7876 0.2697 0.1744 Rebo [11 ] 899.77 111.47040 0.21830 196.81650 0.34170 0.26955 Rebo [31 ] 920.77 113.98380 0.23500 194.24210 0.35590 Inclusion
with Rebo [11 ] 913.15 114.63750 0.23670 172.87730 0.31780 Single-walled 10-10 CNT 9.1 Airebo [29 ] 1038.4 113.29630 0.21190 172.72411 0.29830 0.22345 Tersoff [10 ] 1236.9 120.2628 0.1903 173.3022 0.2713 0.1535 Rebo [11 ] 1036.5 110.81970 0.19820 232.28951 0.34530 0.3350 Rebo [31 ] 1040.1 113.08620 0.21250 212.39920 0.34550 Inclusion
with Rebo [11 ] 1040.5 113.66160 0.21330 183.36310 0.29990 4.51 Airebo 1083.9 116.69020 0.22680 199.44099 0.32050 0.18104 Tersoff 1120.4 118.0722 0.1862 191.8131 0.3041 0.2267 Rebo [11 ] 1084.4 111.19750 0.19570 247.91631 0.35530 Rebo [31 ] 1084.1 116.29670 0.22620 222.50110 0.35370 Inclusion
with Rebo [11 ] 1088.9 111.67250 0.19620 211.41220 0.32130 0.3637
