Research Article

Elastic Moduli of Carbon Nanohorns

Table 1

Parameters for the carbon-carbon pair terms.

ParametersBrenner’s (20)Ours (21)

𝐡 1 (eV)12388.7919779812300.79197798
𝛽 1 (Γ…βˆ’1)4.72045231274.7204523127
𝑄 (Γ…)0.31346029608330.3996602960833
𝐡 2 (eV)17.5674064650917.56740646509
𝛽 2 (Γ…βˆ’1)1.43321324991.4332132499
𝐴 (eV)10953.54416217010900.544162170
𝐡 3 (eV)30.7149320806530.71493208065
𝛽 3 (Γ…βˆ’1)1.38269125061.3826912506
𝛼 (Γ…βˆ’1 )4.74653906065954.7465390606595

𝑅 = 1 . 8  Å, 𝐷 = 0 . 3  Å.