基于半经验势的分子动力学模型,研究了相同能量下C60+C60与Ar@C60+Ar@C60的对心碰撞后形成的富勒烯结构的不同。发现在相同的能量下,Ar@C60+Ar@C60形成的碰撞产物的结构相比C60+C60碰撞产物的结构有着明显的不同:前者形成“花生”状的新富勒烯结构,后者形成“哑铃”状的双富勒烯结构。
A semi-emperical molecular dynamics model was developed. The central collisions of C60 +C60 and At@C60 +At@C60 at the same incident energy were investigated within this model. The fullerene dimers could be formed by a self-assembly of C60 fullerene, and the new fullerene structure like "peanut" could be formed by a self-assembly of At@C60. It was found that atom Ar had a great effect on the collision of Ar@60 +Ar@C60.