Molecular-dynamics study of the Girifalco-model C60 at two high-temperature isotherms

被引:11
作者
Abramo, MC [1 ]
Coppolino, G [1 ]
机构
[1] Ist Nazl Fis Mat, Dipartimento Fis, Sez Teor, I-98166 Messina, Italy
来源
PHYSICAL REVIEW B | 1998年 / 58卷 / 05期
关键词
D O I
10.1103/PhysRevB.58.2372
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A molecular-dynamics technique is used to study two high-temperature isotherms of a system of fullerene C-60 molecules modeled as rigid spheres interacting via the Girifalco potential [J. Phys. Chem. 96, 858 (1992)]. We calculate the radial distribution functions and the mean-square displacements of the Girifalco-model C-60 in a temperature-density range corresponding to the liquid region of the phase diagram as obtained via previous molecular-dynamics simulations and integral equation theories. The simulated trajectories of the fullerene molecules are also reported. The nonmonotonic behavior of the structural and dynamical properties of the simulated system, observed in a narrow density range, may confirm the liquid phase of this model C-60.
引用
收藏
页码:2372 / 2375
页数:4
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