Micelle

24 Jul 2006 | Tools | Contributor(s): Kunal Shah, Patrick Chiu, jing xu, Susan Sinnott

Parallel Molecular Dynamics (MD) code that models surfactant structures in water and at liquid/solid interfaces.

http://nanohub.org/resources/1653

Molecular Dynamics Simulations with the Second-Generation Reactive Empirical Bond Order (REBO) Potential

02 Apr 2006 | Online Presentations | Contributor(s): Wen-Dung Hsu, Susan Sinnott

In this presentation, the molecular dynamics (MD) simulation will be introduced first. The applications of MD simulation, the procedure of MD simulation and some speed-up methods in MD simulation …

http://nanohub.org/resources/1165

Molecular Dynamics Studies of Gaseous Transport

05 Apr 2006 | Online Presentations | Contributor(s): Ki-Ho Lee, Jason Myers, Susan Sinnott

Carbon nanotubes (CNTs) have generated a great deal of interest due to their unique properties. In this study, we examine the transport properties of various nanotubes using REBO-MD to determine the …

http://nanohub.org/resources/1198

Tutorial on Using Micelle-MD

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 …

http://nanohub.org/resources/1193

Mechanical Properties of Surfactant Aggregates at Water-Solid Interfaces

05 Apr 2006 | Online Presentations | Contributor(s): Patrick Chiu, Kunal Shah, Susan Sinnott

This is a talk on the mechanical properties of surfactant aggregates at water-solid interfaces using Micelle-MD. This includes silica indentations of micelles with comparison to experimental …

http://nanohub.org/resources/1192

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 …

http://nanohub.org/resources/1168

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) …

http://nanohub.org/resources/1140

Irradiation and Nanomechanics of Multi-Walled Carbon Nanotubes

23 Mar 2006 | Online Presentations | Contributor(s): Sharon Pregler, Susan Sinnott

Irradiation of nanotube structures with electron and ion beams has been used to produce functionalized nanotubes and fundamentally new structures, including junctions. Here, we build on previous …

http://nanohub.org/resources/1114

Engineering the Fiber-Matrix Interface in Carbon Nanotube Composites

23 Mar 2006 | Online Presentations | Contributor(s): Sharon Pregler, Yanhong Hu, Susan Sinnott

Particle depositions on polymer and carbon substrates to induce surface chemical modification are a growing research topic in particle-surface interactions due to localized deposition energy and …

http://nanohub.org/resources/1113

Bending Properties of Carbon Nanotubes

21 Mar 2006 | Online Presentations | Contributor(s): SeongJun Heo, Susan Sinnott

The effect of filling carbon nanotubes on the mechanical, especially bending, behavior of empty and filled (10,10) carbon nanotubes (CNTs) is examined using classical, atomistic, molecular dynamics …

http://nanohub.org/resources/1106

Introduction to Carbon Nanotube Electronics

12 Oct 2005 | Learning Modules | Contributor(s): Susan Sinnott

Carbon nanotubes (CNT) have interesting, structure-dependent electronic properties. In particular, CNTs can be a metallic or semiconducting depending on the way in which the carbon atoms are arranged …

http://nanohub.org/resources/231

Introduction to Nanofluidics

26 May 2005 | Learning Modules | Contributor(s): Susan Sinnott

The purpose of this learning module is to introduce students to some fundamental concepts in Nanofluidics. The module includes a pretest (without keys), a presentation, reading materials on …

http://nanohub.org/resources/1

REBO Nanofluidics Exercise

10 May 2006 | Teaching Materials | Contributor(s): Susan Sinnott, Hetal Patel

Nanofluidics exercise showing the variation of energy and position of methane and butane molecules flowing through an opened carbon nanotube as the system temperature and the length of the nanotube …

http://nanohub.org/resources/1270