A Tutorial for Nanoelectronics Simulation Tools

03 Jul 2007 | Online Presentations | Contributor(s): james k fodor, Jing Guo

This learning module introduces nanoHUB users to some of the available simulators. The simulators discussed are FETToy, nanoMOS, Schred, CNTbands, and QDot Lab. For each simulator, a brief …

http://nanohub.org/resources/2842

Introduction to FETToy

03 Jul 2007 | Learning Modules | Contributor(s): james k fodor, Jing Guo

This learning module introduces nanoHUB users to the FETToy simulator. A brief introduction to FETToy is presented, followed by voiced presentations featuring the simulator in action. Upon …

http://nanohub.org/resources/2844

Introduction to nanoMOS

02 Jul 2007 | Learning Modules | Contributor(s): james k fodor, Jing Guo

This learning module introduces nanoHUB users to the nanoMOS simulator. A brief introduction to nanoMOS is presented, followed by voiced presentations featuring the simulator in action. Upon …

http://nanohub.org/resources/2845

Introduction to Schred

28 Jun 2007 | Learning Modules | Contributor(s): james k fodor, Jing Guo

This learning module introduces nanoHUB users to the Schred simulator. A brief introduction to Schred is presented, followed by voiced presentations featuring the simulator in action. Upon …

http://nanohub.org/resources/2847

Introduction to CNTbands

28 Jun 2007 | Learning Modules | Contributor(s): james k fodor, Jing Guo

This learning module introduces nanoHUB users to the CNTbands simulator. A brief introduction to CNTbands is presented, followed by voiced presentations featuring the simulator in action. Upon …

http://nanohub.org/resources/2843

Bandstructure of Carbon Nanotubes and Nanoribbons

14 Jun 2007 | Learning Modules | Contributor(s): james k fodor, Seokmin Hong, Jing Guo

This learning module introduces users to the Carbon-Nano Bands simulation tool, which simulates the bandstructure of Carbon Nanotubes (CNTs) and Nanoribbons (CNRs). To gives users a strong …

http://nanohub.org/resources/2762

Atomistic Modeling of the Mechanical Properties of Nanostructured Materials

16 Apr 2007 | Online Presentations | Contributor(s): SeongJun Heo, Susan Sinnott

The mechanical properties of carbon nanotubes are studied by using classical molecular dynamics simulations. Especially, the effects of filling, temperature, and functionalization on CNT's tensional …

http://nanohub.org/resources/2604

Fouling Mechanisms in Y-shaped Carbon Nanotubes

04 Apr 2007 | Online Presentations | Contributor(s): Jason Myers, SeongJun Heo, Susan Sinnott

In the modern pharmaceutical and chemical industries, solutions of extremely high purity are needed. Current filtration methods are reaching the limits of their abilities, so new filters must be …

http://nanohub.org/resources/2582

Grid Appliance: a First-time User's Tutorial

08 Jan 2007 | Online Presentations | Contributor(s): David Wolinsky

This video shows step-by-step instructions on how to use the nanoHUB virtual machine Grid Appliance: from starting it up to running Rappture applications, accessing your nanoHUB files through WebDAV, …

http://nanohub.org/resources/2244

nanoHUB Grid Appliance

21 Dec 2006 | Downloads | Contributor(s): Renato Figueiredo

The Grid appliance allows nanoHUB users to run a development "virtual workspace" in their own desktop. The workspace has a Linux-based virtual machine with Rappture, WebDAV and Condor pre-installed …

http://nanohub.org/resources/2121

REBO

24 Jul 2006 | Tools | Contributor(s): Wen-Dung Hsu, SeongJun Heo, jing xu, Susan Sinnott

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http://nanohub.org/resources/1654

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