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Molecular Dynamics Simulation of the Size Effect of Carbon Nanotubes on the Bulk Modulus of a Lipid Bilayer

Yong Gan*, Zhen Chen∗,†

* Department of Civil and Environmental Engineering, University of Missouri-Columbia, Columbia, MO 65211, USA
Corresponding author, Email: chenzh@missouri.edu

Molecular & Cellular Biomechanics 2006, 3(3), 89-94. https://doi.org/10.3970/mcb.2006.003.089

Abstract

Due to their nanoscale size and special features, carbon nanotubes could enter the human body via certain way. The growing use of carbon nanotubes in practical applications, hence, prompts a necessity to study the potential health risks of carbon nanotubes. A numerical study is performed in this paper to investigate the size effect of carbon nanotubes on the bulk modulus of a lipid bilayer by using the constant surface tension molecular dynamics simulation procedure. It is found that the size effect is not monotonic with the increase of nanotube length. An explanation is given on the basis of the atomic interaction between the nanotube and bilayer involved in the model system.

Cite This Article

Gan, Y., Chen, Z. (2006). Molecular Dynamics Simulation of the Size Effect of Carbon Nanotubes on the Bulk Modulus of a Lipid Bilayer. Molecular & Cellular Biomechanics, 3(3), 89–94.



cc This work is licensed under a Creative Commons Attribution 4.0 International License , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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