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Nanotechnology sometimes involves mixing something very small
into a larger, more conventional system. For example, mixing
carbon nanotubes into a conventional polymer gives it added
strength. Or, using a carbon nanotube as the channel between
two larger, source-drain contacts creates a transistor with
improved channel mobility. But simulating such systems becomes
a huge challenge. The smaller parts of the system must be
solved with great accuracy–for example, by simulating each
atom within a carbon nanotube. But the same approach can't
possibly be applied to the larger system–for example, to each
atom in the thousands of polymer molecules in a realistic
sample–or the whole problem would be too big to solve!
Multi-scale methods attempt to solve the problem by stitching
together smaller domains (where atomistic models apply) and
larger domains (where continuum models apply) into a coherent
Learn more about multi-scale methods from the resources on
this site, listed below.
Nano-Scale Device Simulations Using PROPHET-Part I: Basics
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20 Jan 2006 | Online Presentations | Contributor(s): Yang Liu, Robert Dutton
Part I covers the basics of PROPHET, including the set-up of simulation structures and parameters based on pre-defined PDE systems.
Nano-Scale Device Simulations Using PROPHET
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 …
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 …
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) …
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 …
On the Reliability of Micro-Electronic Devices: An Introductory Lecture on Negative Bias Temperature Instability
28 Sep 2005 | Online Presentations | Contributor(s): Muhammad A. Alam
In 1930s Bell Labs scientists chose to focus on Siand Ge, rather than better known semiconductors like Ag2S and Cu2S, mostly because of their reliable performance. Their choice was rewarded with the …
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, …
Parallel Computing for Realistic Nanoelectronic Simulations
12 Sep 2005 | Online Presentations | Contributor(s): Gerhard Klimeck
Typical modeling and simulation efforts directed towards the understanding of electron transport at the nanometer scale utilize single workstations as computational engines. Growing understanding of …
Numerical Aspects of NEGF: The Recursive Green Function Algorithm
14 Jun 2004 | Online Presentations | Contributor(s): Gerhard Klimeck
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.
NanoMOS 2.5 Source Code Download
22 Feb 2005 | Downloads | Contributor(s): Zhibin Ren, Sebastien Goasguen
NanoMOS is a 2-D simulator for thin body (less than 5 nm), fully depleted, double-gated n-MOSFETs. A choice of five transport models is available (drift-diffusion, classical ballistic, energy …
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 …
Quantum Electromechanical Systems: Are we there yet?
05 Feb 2004 | Online Presentations | Contributor(s): Andrew Cleland
Electrons moving in a conductor can transfer momentum to the lattice via collisions with impurities and boundaries, giving rise to a fluctuating mechanical stress tensor. Driving electrons out of …
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