A Multiscale Molecular Dynamics Approach to Contact Mechanics and Friction: From Continuum Mechanics to Molecular Dynamics

2007 ◽  
pp. 307-343 ◽  
Author(s):  
U. Tartaglino ◽  
C. Yang ◽  
B. N. J. Persson
Keyword(s):  
Molecular Dynamics ◽  
Contact Mechanics ◽  
Continuum Mechanics

A Molecular Model of Asperity Contact and Comparison to Continuum Based Models

2008 ◽  
Author(s):  
Wei Huang ◽  
Robert L. Jackson
Keyword(s):  
Contact Mechanics ◽  
Continuum Mechanics ◽  
Material Properties ◽  
Molecular Model ◽  
Small Scale ◽  
Elastic Contact ◽  
Asperity Contact ◽  
Molecular Forces ◽  
The Continuum

Surface asperities can range widely in size. Therefore it is important to characterize the effect of size and scale on the contact mechanics. This work presents a molecular model of asperity contact in order to characterize small scale asperity contact. The model is also compared to existing continuum mechanics based models developed originally by Hertz for elastic contact and later expanded by others to include plasticity. It appears that the predictions can be related to each other and that the continuum material properties can be related to the properties describing the molecular forces.

Elucidating the contact mechanics of aluminum silicon surfaces with Green's function molecular dynamics

2007 ◽  
Vol 102 (11) ◽  
pp. 113511 ◽  
Author(s):  
Carlos Campañá ◽  
Martin H. Müser ◽  
Colin Denniston ◽  
Yue Qi ◽  
Thomas A. Perry
Keyword(s):  
Molecular Dynamics ◽  
Green’S Function ◽  
Contact Mechanics ◽  
Green's Function ◽  
Silicon Surfaces ◽  
Aluminum Silicon

The archetype-genome exemplar in molecular dynamics and continuum mechanics

2013 ◽  
Vol 53 (4) ◽  
pp. 687-737 ◽  
Author(s):  
M. Steven Greene ◽  
Ying Li ◽  
Wei Chen ◽  
Wing Kam Liu
Keyword(s):  
Molecular Dynamics ◽  
Continuum Mechanics

ON INSTABILITY OF SINGLE-WALLED CARBON NANOTUBES WITH A VACANCY DEFECT

2008 ◽  
Vol 08 (02) ◽  
pp. 357-366 ◽  
Author(s):  
Q. WANG ◽  
V. K. VARADAN ◽  
Y. XIANG ◽  
Q. K. HAN ◽  
B. C. WEN
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Continuum Mechanics ◽  
Elastic Beam ◽  
Single Walled Carbon Nanotubes ◽  
Vacancy Defect ◽  
Technical Note ◽  
Single Walled Carbon ◽  
Walled Carbon Nanotubes ◽  
The Continuum

This technical note is concerned with the buckling of single-walled carbon nanotubes with one atomic vacancy. An elastic beam theory is developed to predict the buckling strain of defective CNTs, and the strain prediction via the continuum mechanics model is verified from comparison studies by molecular dynamics simulations. The results demonstrate the effectiveness of the continuum mechanics theory for longer CNTs. In addition, a local kink is revealed in the morphology of the buckling of shorter defective CNTs via molecular dynamics.

scholarly journals Nonperiodic stochastic boundary conditions for molecular dynamics simulations of materials embedded into a continuum mechanics domain

2011 ◽  
Vol 134 (15) ◽  
pp. 154108 ◽  
Author(s):  
Mohammad Rahimi ◽  
Hossein Ali Karimi-Varzaneh ◽  
Michael C. Böhm ◽  
Florian Müller-Plathe ◽  
Sebastian Pfaller ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Boundary Conditions ◽  
Molecular Dynamics Simulations ◽  
Continuum Mechanics ◽  
Dynamics Simulations ◽  
Stochastic Boundary
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