石墨
碳纤维
材料科学
无定形碳
无定形固体
约束(计算机辅助设计)
纳米技术
化学物理
复合材料
物理
结晶学
几何学
复合数
化学
数学
作者
S. J. Townsend,T. J. Lenosky,David A. Muller,C. S. Nichols,Veit Elser
标识
DOI:10.1103/physrevlett.69.921
摘要
A computational method has been developed for generating graphitic carbon structures on an arbitrary smooth surface and with a given number of carbon rings. Using both periodic and random surfaces for constraint, many extended graphitic carbon structures have been generated. The energy relative to graphite and the bulk elastic properties have been calculated. Like their periodic counterparts, the random structures are found to be exceptionally stable. Their radial distribution functions match closely those of films of amorphous carbon grown on NaCl substrates from sublimated graphite.
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