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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.
Ionic Selectivity in Channels: complex biology created by the balance of simple physics
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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 …
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 …
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 …
On the Rise of an Electronic Species: Thoughts on the Impending Singularity
29 Nov 2007 | Online Presentations | Contributor(s): Kerry Bernstein
The human brain is vastly more complex that our best supercomputers; yet it can be argued that both systems evolve towards common underlying solutions to fundamental compute problems. …
Plastic Deformation at Micron and Submicron Scales
28 Nov 2007 | Online Presentations | Contributor(s): Marisol Koslowski
Most people experiences the way objects plastically deform on a macroscopic scale. From a car crash to the bending of a paper clip plastic deformation occurs in the form of a smooth flow as a …
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.
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 …
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 …
BNC Annual Research Symposium: Nanoscale Energy Conversion
23 Apr 2007 | Online Presentations | Contributor(s): Timothy S Fisher
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. …
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 …
Towards Multi-Scale Modeling of Carbon Nanotube Transistors
20 Sep 2006 | Publications | Contributor(s): Jing Guo, Supriyo Datta, Mark Lundstrom, M. P. Anantram
Multiscale simulation approaches are needed in order to address scientific and technological questions in the rapidly developing field of carbon nanotube electronics. In this paper, we describe …
Understanding Phonon Dynamics via 1D Atomic Chains
04 Apr 2006 | Online Presentations | Contributor(s): Timothy S Fisher
Phonons are the principal carriers of thermal energy in semiconductors and insulators, and they serve a vital role in dissipating heat produced by scattered electrons in semiconductor devices. …
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 …
The Long and Short of Pick-up Stick Transistors: A Promising Technology for Nano- and Macro-Electronics
11 Apr 2006 | Online Presentations | Contributor(s): Muhammad A. Alam
In recent years, there has been enormous interest in the emerging field of large-area macro-electronics, and fabricating thin-film transistors on flexible substrates. This talk will cover recent …
Thermal Microsystems for On-Chip Thermal Engineering
04 Apr 2006 | Online Presentations | Contributor(s): Suresh V. Garimella
Electro-thermal co-design at the micro- and nano-scales is critical for achieving desired performance and reliability in microelectronic circuits. Emerging thermal microsystems technologies for …
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 …
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 …
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 …
Nano-Scale Device Simulations Using PROPHET-Part II: PDE Systems
20 Jan 2006 | Online Presentations | Contributor(s): Yang Liu, Robert Dutton
Part II uses examples to illustrate how to build user-defined PDE systems in PROPHET.
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