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OALib Journal期刊
ISSN: 2333-9721
费用：99美元
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单壁碳纳米管端口连接过程的计算模拟
, PP. 44-47
Keywords: 碳纳米管,紧束缚近似,分子动力学
Abstract:
利用紧束缚分子动力学模拟方法,模拟计算了(4,0)型单壁碳纳米管构成的"v"型结构在不同温度下端口连接的过程.计算结果表明,对于端口不固定的v型结构,在确定的温度以上,2根碳管将实现接口处的平滑连接而最终演变成长直的完美单管,接口的痕迹和历史可以完全消除,这可能是产生长直单壁管的一种方式.
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