@inbook{da357f4f46cd48a892766c03ac2b6d18,
title = "Potentials for van der Waals Interaction in Nano-Scale Computation",
abstract = "Van der Waals interaction is important to the materials behavior at the nanoscale. Two potentials for van der Waals interactions in carbon, namely the Lennard-Jones potential and registry-dependent interlayer potential, are compared through graphenes and carbon nanotubes. The registry-dependent interlayer potential has stronger lattice registry effect than the Lennard-Jones potential, and agrees better with first-principles computation. However, the deformation of carbon nanotubes predicted by Lennard-Jones potential shows better agreement with experiments than that by registry-dependent interlayer potential.",
keywords = "Computation, Potential, van der Waals interaction",
author = "J. Xiao and W. Zhou and Y. Huang and Zuo, {J. M.} and Hwang, {K. C.}",
note = "Publisher Copyright: {\textcopyright} Springer Science+Business Media B.V. 2010.",
year = "2010",
doi = "10.1007/978-1-4020-9785-0_12",
language = "English (US)",
series = "Challenges and Advances in Computational Chemistry and Physics",
publisher = "Springer",
pages = "323--333",
booktitle = "Challenges and Advances in Computational Chemistry and Physics",
}