Interfacial Characteristics of Carbon Nanotube-Polyethylene Composites Using Molecular Dynamics Simulations
Joint Authors
Xue, Y.
Zhang, Z. Q.
Zhang, H. W.
Ward, D. K.
Horstemeyer, Mark F.
Source
Issue
Vol. 2011, Issue 2011 (31 Dec. 2011), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2011-09-25
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Abstract EN
The rate-dependent interfacial behavior between a carbon nanotube (CNT) and a polyethylene (PE) matrix is investigated using molecular dynamics (MD) simulations.
Various MD simulations were set up to determine the “size” effects on the interfacial properties, such as the molecular weight, or the length of the polymer, the diameter of the CNT, and the simulation model size.
The interfacial rate-dependency was probed by applying various relative sliding velocities between the CNT and the polymer.
Two quantities, directly obtained from the MD simulations, described the interfacial properties: the critical interfacial shear stress (CISS) and the steady interfacial shear stress (SISS).
The simulations show that the SISS was not sensitive to the simulation size.
In addition, the CISS was dependent upon the combined factors of the variation in PE stiffness, induced by simulation size changes and the effect of the fixed boundaries of the simulation models.
The CISS increases almost linearly with the relative sliding velocity of CNTs.
Also, a linear relationship between the SISS and the CNT-sliding velocity is observed when the SISS drops below a critical value.
A clear size scaling is observed as the CISS and SISS decrease with increasing CNT radius and increase with the increasing polymer chain length.
American Psychological Association (APA)
Zhang, Z. Q.& Ward, D. K.& Xue, Y.& Zhang, H. W.& Horstemeyer, Mark F.. 2011. Interfacial Characteristics of Carbon Nanotube-Polyethylene Composites Using Molecular Dynamics Simulations. ISRN Materials Science،Vol. 2011, no. 2011, pp.1-10.
https://search.emarefa.net/detail/BIM-449266
Modern Language Association (MLA)
Zhang, Z. Q.…[et al.]. Interfacial Characteristics of Carbon Nanotube-Polyethylene Composites Using Molecular Dynamics Simulations. ISRN Materials Science No. 2011 (2011), pp.1-10.
https://search.emarefa.net/detail/BIM-449266
American Medical Association (AMA)
Zhang, Z. Q.& Ward, D. K.& Xue, Y.& Zhang, H. W.& Horstemeyer, Mark F.. Interfacial Characteristics of Carbon Nanotube-Polyethylene Composites Using Molecular Dynamics Simulations. ISRN Materials Science. 2011. Vol. 2011, no. 2011, pp.1-10.
https://search.emarefa.net/detail/BIM-449266
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-449266