%0 Journal Article
%T Mechanical characters of compressed C{n} and endohedral M@C{60} fullerene molecules<br>碳及内嵌金属原子富勒稀分子的压缩力学特性
%A SHEN Haijun SHI Youjin
%A <br>沈海军
%A 史友进
%J 材料研究学报
%D 2004
%I 
%X By use of the molecular dynamics and quantum mechanics combined method (MD/QM method), the mechanical properties of compressed Cn (n=20, 60, 80, 180) and endohedral M@C60 (M=Na, Al, Fe) fullerene molecules are investigated. According to the calculated results, differences of the mechanical properties of the compressed C20, C60, C80- C180 and M@C60 (M=Na, Al, Fe) are discussed as well. The results show that, (1) compressed fullerene molecules take on outstanding mechanical properties; (2) the bigger the magic number n for an empty fullerene is, the higher its load support capability Fmax and stiffness are, but the lower its invalidation strain li is; (3) all the M@C60 molecules have higher support capability Fmax and invalidation strain li than empty C60 molecule.
%K foundational discipline in materials science
%K fullerene molecule
%K molecular dynamics
%K M@C60 molecule
%K mechanical properties<br>材料科学基础学科
%K 富勒稀分子
%K 分子动力学
%K 内嵌金属原子
%K 压缩力学特性
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=84529CA2B2E519AC&jid=C101C4C04993B4D94FCD8446E6CBEB3B&aid=A039D37DA62C9E29&yid=D0E58B75BFD8E51C&vid=13553B2D12F347E8&iid=B31275AF3241DB2D&sid=AEE2F90BC0DB5F35&eid=E4BEEBB9A80BC67E&journal_id=1005-3093&journal_name=材料研究学报&referenced_num=0&reference_num=11