Find information on common issues.
Ask questions and find answers from other users.
Suggest a new site feature or improvement.
Check on status of your tickets.
Tutorial on Using Micelle-MD
0.0 out of 5 stars
05 Apr 2006 | Online Presentations | Contributor(s): Patrick Chiu, Kunal Shah, Susan Sinnott
This is a tutorial using Micelle-MD. This includes the main capabilities, computation procedure, with format of files generated, and the simulation setup, which includes the material models implemented.
Tribological Properties of Carbon Nanotube Bundles
03 Apr 2006 | Online Presentations | Contributor(s): SeongJun Heo, Susan Sinnott
The tribological properties of carbon nanotube(CNT) bundles are investigated in this research using classical molecular dynamics(MD) simulations. Bundle of hollow single walled CNT or CNT filled with C60 is placed between two hydrogen-terminated amorphous diamond-like carbon(DLC) substrates. The...
The Effect of Temperature Control on the Mechanical Behavior of Carbon Nanotubes
29 Mar 2006 | Online Presentations | Contributor(s): SeongJun Heo, Susan Sinnott
The effect of thermostat configurations on the mechanical behavior of empty and butane (n-C4H10) filled (10,10) carbon nanotubes (CNTs) is examined using classical, atomistic, molecular dynamics (MD) simulations. In particular, the influence of different types of thermostats, relative numbers of...
REBO Nanofluidics Exercise
10 May 2006 | Teaching Materials | Contributor(s): Susan Sinnott, Hetal Patel
Nanofluidics exercise showing the variation of energy and positionof methane and butane molecules flowing through an opened carbonnanotube as the system temperature and the length of the nanotubeare varied.
4.0 out of 5 stars
24 Jul 2006 | Tools | Contributor(s): Wen-Dung Hsu, SeongJun Heo, jing xu, Susan Sinnott
Reactive Empirical Bond-Order (REBO) potential is a many-body expression optimized for modeling covalently bonded materials, such as carbon and silicon, in large-scale atomistic simulations
Top 5 shown | See more results