A cohesive law for carbon nanotube/polymer interfaces based on the van der Waals force

2006 ◽  
Vol 54 (11) ◽  
pp. 2436-2452 ◽  
Author(s):  
L.Y. Jiang ◽  
Y. Huang ◽  
H. Jiang ◽  
G. Ravichandran ◽  
H. Gao ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Van Der Waals ◽  
Van Der Waals Force ◽  
Polymer Interfaces ◽  
Cohesive Law

Atomistically derived metal–ceramic interfaces cohesive law based on the van der Waals force

2013 ◽  
Vol 111 ◽  
pp. 98-105 ◽  
Author(s):  
Kunjun Deng ◽  
Zhaoxia Yu ◽  
Jianqiu Zhou ◽  
Hongxi Liu ◽  
Shu Zhang
Keyword(s):  
Van Der Waals ◽  
Van Der Waals Force ◽  
Cohesive Law ◽  
Metal Ceramic ◽  
Ceramic Interfaces

The Interfacial Cohesive Law of Composite for Carbon Nanotubes and Single Crystal Metals

2012 ◽  
Vol 557-559 ◽  
pp. 505-509
Author(s):  
Gao Feng Wei ◽  
Ting Ting Yan ◽  
Hong Fen Gao
Keyword(s):  
Carbon Nanotubes ◽  
Single Crystal ◽  
Van Der Waals ◽  
Van Der Waals Force ◽  
Single Wall Carbon Nanotubes ◽  
Cohesive Law ◽  
Crystal Lattices ◽  
Metal Atoms ◽  
Composite Interface ◽  
Analytical Expressions

In this paper the interfacial cohesive law of composite for single-wall carbon nanotubes (CNTs) and single crystal metal is characterized by van der Waals force, and the new interfacial cohesive law is established. The van der Waals force is sensitively related to the distance of atoms, therefore single crystal metal is delaminated according to the structure of crystal lattices that the metal atoms of same distance to CNTs are divided into one layer, and a series of parameters are obtained. The analytical expressions of the new cohesive law are useful to studying the composite interface between CNTs and single crystal metal, and can give the macro properties of the composites accurately.

scholarly journals Multiscale Analysis of the Interfacial Mechanical Behavior for Composite of Carbon Nanotube andα-Alumina

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
Tingting Yan ◽  
Gaofeng Wei
Keyword(s):  
Carbon Nanotube ◽  
Mechanical Behavior ◽  
Multiscale Analysis ◽  
Cox Model ◽  
Van Der Waals ◽  
Stress Transfer ◽  
Multiscale Methods ◽  
Van Der Waals Interaction ◽  
Cohesive Law ◽  
The Relationship

Based on multiscale methods the mechanical behavior for the interface of carbon nanotube andα-alumina is analyzed. The stress transfer between nanotube and alumina is provided by van der Waals interaction. Using cohesive law the relationship between normal stress (shear stress) and displacement is studied, as well as the stress intensity. The stress distribution of the interface is obtained by improved COX model. The strain rate of nanotube-composite is presented when the interfacial slip occurs through the van der Waals interaction.

scholarly journals Approximate Solutions for a Self-Folding Problem of Carbon Nanotubes

2009 ◽  
Vol 132 (1) ◽  
Author(s):  
Yozo Mikata
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Van Der Waals ◽  
Elliptic Functions ◽  
Approximate Solutions ◽  
Van Der Waals Force ◽  
The Self ◽  
Critical Threshold ◽  
Minimum Length ◽  
Molecular Dynamics Calculations

This paper treats approximate solutions for a self-folding problem of carbon nanotubes. It has been observed in the molecular dynamics calculations (Buehler, Kong, Gao, and Huang, 2006, “Self-Folding and Unfolding of Carbon Nanotubes,” ASME J. Eng. Mater. Technol., 128, pp. 3–10) that a carbon nanotube with a large aspect ratio can self-fold due to the van der Waals force between the parts of the same carbon nanotube. The main issue in the self-folding problem is to determine the minimum threshold length of the carbon nanotube at which it becomes possible for the carbon nanotube to self-fold due to the van der Waals force. To the best of the author’s knowledge, no exact solution for this problem has been obtained. In this paper, an approximate mathematical model based on the force method is constructed for the self-folding problem of carbon nanotubes, and is solved exactly as an elastica problem using elliptic functions. Additionally, three other mathematical models are constructed based on the energy method. As a particular example, the lower and upper estimates for the critical threshold (minimum) length are determined based on both methods for the (5,5) armchair carbon nanotube.

A Basic Study of the CNT-Biomolecule Conjugation by Molecular Dynamics Analysis

2008 ◽  
Vol 381-382 ◽  
pp. 361-364
Author(s):  
S.M. Kim ◽  
Hyun Kyu Kweon
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Van Der Waals ◽  
Van Der Waals Force ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Basic Study ◽  
Hydrophobic Force ◽  
Simulation Results

This study is about the underlying conjugation mechanism between carbon nanotube and biomolecule by molecular dynamics. In order to know about the conjugation mechanism between carbon nanotube and biomolecule, molecular dynamics simulation between carbon nanotube and water molecules was taken first and then molecular dynamics simulation between biomolecules and water molecules was taken. At simulation between carbon nanotube and water molecules, kinetic energy and potential energy became decreased with time and it means that the distance between carbon nanotube and water molecules becomes distant with time by van der Waals force and hydrophobic force. Simulation results between biomolecules and water molecules are also same as the results of carbon nanotube and water molecules simulation. From these two simulations, the conjugation mechanism between carbon nanotube and biomolecules can be predicted. Also, from simulation results between carbon nanotube and biomolecules, the distance between carbon nanotube and biomolecules becames close and it supports previous two simulation results. From these results, we can know that biomolecules enter into the carbon nanotube's cavity because of van der Waals force and hydrophobic force.

scholarly journals First-Principles Study on Graphene/Mg2Si Interface of Selective Laser Melting Graphene/Aluminum Matrix Composites

Metals ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 941
Author(s):  
Zhanyong Zhao ◽  
Shijie Chang ◽  
Jie Wang ◽  
Peikang Bai ◽  
Wenbo Du ◽  
...  
Keyword(s):  
Interfacial Energy ◽  
First Principles ◽  
Lattice Mismatch ◽  
Van Der Waals ◽  
Aluminum Matrix ◽  
Van Der Waals Force ◽  
Aluminum Matrix Composites ◽  
Matrix Composites ◽  
Charge Density Difference ◽  
Interface Charge

The bonding strength of a Gr/Mg2Si interface was calculated by first principles. Graphene can form a stable, completely coherent interface with Mg2Si. When the (0001) Gr/(001) Mg2Si crystal plane is combined, the mismatch degree is 5.394%, which conforms to the two-dimensional lattice mismatch theory. At the interface between Gr/Mg2Si, chemical bonds were not formed, there was only a strong van der Waals force; the interfaces composed of three low index surfaces (001), (011) and (111) of Mg2Si and Gr (0001) have smaller interfacial adhesion work and larger interfacial energy, the interfacial energy of Gr/Mg2Si is much larger than that of α-Al/Al melt and Gr/Al interfacial (0.15 J/m2, 0.16 J/m2), and the interface distance of a stable interface is larger than the bond length of a chemical bond. The interface charge density difference diagram and density of states curve show that there is only strong van der Waals force in a Gr/Mg2Si interface. Therefore, when the Gr/AlSi10Mg composite is stressed and deformed, the Gr/Mg2Si interface in the composite is easy to separate and become the crack propagation source. The Gr/Mg2Si interface should be avoided in the preparation of Gr/AlSi10Mg composite.

Sign in / Sign up

Export Citation Format

Share Document