Atomistic Alloy Disorder in Nanostructures

26 Feb 2007 | Online Presentations | Contributor(s): Gerhard Klimeck

Electronic structure and quantum transport simulations are typically performed in perfectly ordered semiconductor structures. Bands and modes are defined resulting in quantized conduction and …

https://nanohub.org/resources/2350

Bandstructure in Nanoelectronics

01 Nov 2005 | Online Presentations | Contributor(s): Gerhard Klimeck

This presentation will highlight, for nanoelectronic device examples, how the effective mass approximation breaks down and why the quantum mechanical nature of the atomically resolved material needs …

https://nanohub.org/resources/381

BNC Annual Research Review: An Introduction to PRISM and MEMS Simulation

04 Jun 2008 | Online Presentations | Contributor(s): Jayathi Murthy

This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the upcoming …

https://nanohub.org/resources/4717

BNC Annual Research Symposium: Nanoscale Energy Conversion

23 Apr 2007 | Online Presentations | Contributor(s): Timothy S Fisher

This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the upcoming …

https://nanohub.org/resources/2636

Computer Simulation of Nanoparticles, Viruses, and Electrical Power-Generating Bacteria

20 Mar 2007 | Online Presentations | Contributor(s): Peter J. Ortoleva

Models of cells and nanometer-scale biosystems are presented that clarify their physico-chemical characteristics and allow for computer- aided design of therapeutic and nanotechnical devices. …

https://nanohub.org/resources/2485

Engineering at the nanometer scale: Is it a new material or a new device?

06 Nov 2007 | Online Presentations | Contributor(s): Gerhard Klimeck

This seminar will overview NEMO 3D simulation capabilities and its deployment on the nanoHUB as well as an overview of the nanoHUB impact on the community.

https://nanohub.org/resources/3504

Engineering the Fiber-Matrix Interface in Carbon Nanotube Composites

23 Mar 2006 | Online Presentations | Contributor(s): Sharon K. 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 …

https://nanohub.org/resources/1113

Finite Size Scaling and Quantum Criticality

02 Jan 2008 | Online Presentations | Contributor(s): Sabre Kais

In statistical mechanics, the finite size scaling method provides a systematic way to extrapolate information about criticality obtained from a finite system to the thermodynamic limit. For quantum …

https://nanohub.org/resources/3526

First Principles-based Atomistic and Mesoscale Modeling of Materials

01 Dec 2005 | Online Presentations | Contributor(s): Alejandro Strachan

This tutorial will describe some of the most powerful and widely used techniques for materials modeling including i) first principles quantum mechanics (QM), ii) large-scale molecular dynamics (MD) …

https://nanohub.org/resources/434

First Principles-Based Modeling of materials: Towards Computational Materials Design

20 Apr 2006 | Online Presentations | Contributor(s): Alejandro Strachan

Molecular dynamics (MD) simulations with accurate, first principles-based interatomic potentials is a powerful tool to uncover and characterize the molecular-level mechanisms that govern the …

https://nanohub.org/resources/1239

Hierarchical Physical Models for Analysis of Electrostatic Nanoelectromechanical Systems (NEMS)

05 Jan 2006 | Online Presentations | Contributor(s): Narayan Aluru

This talk will introduce hierarchical physical models and efficient computational techniques for coupled analysis of electrical, mechanical and van der Waals energy domains encountered in …

https://nanohub.org/resources/850

HPC and Visualization for multimillion atom simulations

21 Jun 2005 | Online Presentations | Contributor(s): Gerhard Klimeck

This presentation gives an overview of the HPC and visulaization efforts involving multi-million atom simulations for the June 2005 NSF site visit to the Network for Computational Nanotechnology.

https://nanohub.org/resources/187

Illinois 2007 Nano-Bio Workshop with nanoHUB Summer School and User Forum

27 Apr 2007 | Workshops | Contributor(s): Narayan Aluru, Eric Jakobsson, Umberto Ravaioli, Dave Mattson, Gerhard Klimeck, Michael McLennan

This summer, on the campus of the University of Illinois, the NCDBN and NCN@UIUC will hold a scientific meeting on "Experimental and Computational Approaches to Understanding Membrane Assemblies and …

https://nanohub.org/resources/2656

Ionic Selectivity in Channels: complex biology created by the balance of simple physics

05 Jun 2008 | Online Presentations | Contributor(s): Bob Eisenberg

An important class of biological molecules—proteins called ionic channels—conduct ions (like Na+ , K+ , Ca2+ , and Cl− ) through a narrow tunnel of fixed charge (‘doping’). Ionic channels …

https://nanohub.org/resources/4726

Irradiation and Nanomechanics of Multi-Walled Carbon Nanotubes

23 Mar 2006 | Online Presentations | Contributor(s): Sharon K. 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 …

https://nanohub.org/resources/1114

Microscale Ionic Wind for Local Cooling Enhancement

26 Oct 2007 | Online Presentations | Contributor(s): David B Go

As the electronics industry continues to develop small, highly functional, mobile devices, new methods of cooling are required to manage the thermal requirements of the not only the chip but …

https://nanohub.org/resources/3358

Modeling and Simulation of Sub-Micron Thermal Transport

26 Sep 2005 | Online Presentations | Contributor(s): Jayathi Murthy

In recent years, there has been increasing interest in understanding thermal phenomena at the sub-micron scale. Applications include the thermal performance of microelectronic devices, …

https://nanohub.org/resources/192

Molecular Transport Structures: Elastic Scattering, Vibronic Effects and Beyond

13 Feb 2006 | Online Presentations | Contributor(s): Mark A. Ratner, Abraham Nitzan, Misha Galperin

Current experimental efforts are clarifying quite beautifully the nature of charge transport in so-called molecular junctions, in which a single molecule provides the channel for current flow between …

https://nanohub.org/resources/1018

Multiscale Modeling of the Mechanical Behavior of Polymer-Based Nanocomposites

25 Mar 2004 | Online Presentations | Contributor(s): Catalin Picu

Polymers filled with nanoscale fillers (carbon nanotubes or nanoparticles) exhibit enhanced properties compared with the neat polymer and with the polymer filled with micron-sized fillers at same …

https://nanohub.org/resources/158

Nano-Scale Device Simulations Using PROPHET

20 Jan 2006 | Online Presentations | Contributor(s): Yang Liu, Robert Dutton

These two lectures are aimed to give a practical guide to the use of a general device simulator (PROPHET) available on nanoHUB. PROPHET is a partial differential equation (PDE) solver that offers …

https://nanohub.org/resources/973