title: Structural transformations of carbon nanotubes under hydrostatic pressure.
abstract: 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-diameter SWNTs display hysteresis and undergo a first-order-like transformation. The different behavior is due to the changing proportions in the total energy of the wall-curvature energy and the van der Waals attraction between opposite walls of the tube.
authors.affiliation: The Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA. pttangney@lbl.gov
authors.forename: Paul
authors.initials: P
authors.lastname: Tangney
authors.forename: Rodrigo B
authors.initials: RB
authors.lastname: Capaz
authors.forename: Catalin D
authors.initials: CD
authors.lastname: Spataru
authors.forename: Marvin L
authors.initials: ML
authors.lastname: Cohen
authors.forename: Steven G
authors.initials: SG
authors.lastname: Louie