Structural Transformations of Carbon Nanotubes under Hydrostatic Pressure

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• 作者：Paul Tangney ; Rodrigo B. Capaz ; Catalin D. Spataru ; Marvin L. Cohen ; and Steven G. Louie
• 刊名：Nano Letters
• 出版年：2005
• 出版时间：November 2005
• 年：2005
• 卷：5
• 期：11
• 页码：2268 - 2273
• 全文大小：192K
• 年卷期：v.5,no.11(November 2005)
• ISSN：1530-6992

文摘

We used simulations with a classical force field to study the transformation under hydrostatic pressure of isolated single-walled nanotubes(SWNT) from a circular to a collapsed cross section. Small-diameter SWNTs deform continuously under pressure, whereas larger-diameterSWNTs display hysteresis and undergo a first-order-like transformation. The different behavior is due to the changing proportions in the totalenergy of the wall-curvature energy and the van der Waals attraction between opposite walls of the tube.