Tags: multiscale models

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Description

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 solution.

Learn more about multi-scale methods from the resources on this site, listed below.

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

    3.5 out of 5 stars 

    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...

    https://nanohub.org/resources/4726

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

    0.0 out of 5 stars 

    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...

    https://nanohub.org/resources/4717

  3. On the Rise of an Electronic Species: Thoughts on the Impending Singularity

    0.0 out of 5 stars 

    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....

    https://nanohub.org/resources/3595

  4. Plastic Deformation at Micron and Submicron Scales

    0.0 out of 5 stars 

    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...

    https://nanohub.org/resources/3559

  5. Microscale Ionic Wind for Local Cooling Enhancement

    0.0 out of 5 stars 

    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

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

    0.0 out of 5 stars 

    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...

    https://nanohub.org/resources/2656

  7. BNC Annual Research Symposium: Nanoscale Energy Conversion

    0.0 out of 5 stars 

    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...

    https://nanohub.org/resources/2636

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

    0.0 out of 5 stars 

    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

  9. Atomistic Alloy Disorder in Nanostructures

    4.5 out of 5 stars 

    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

  10. Towards Multi-Scale Modeling of Carbon Nanotube Transistors

    0.0 out of 5 stars 

    21 Sep 2006 | Papers | 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...

    https://nanohub.org/resources/1818

  11. Understanding Phonon Dynamics via 1D Atomic Chains

    0.0 out of 5 stars 

    28 Aug 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....

    https://nanohub.org/resources/1186

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

    0.0 out of 5 stars 

    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

  13. The Long and Short of Pick-up Stick Transistors: A Promising Technology for Nano- and Macro-Electronics

    5.0 out of 5 stars 

    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...

    https://nanohub.org/resources/1214

  14. Thermal Microsystems for On-Chip Thermal Engineering

    0.0 out of 5 stars 

    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...

    https://nanohub.org/resources/1182

  15. Irradiation and Nanomechanics of Multi-Walled Carbon Nanotubes

    4.0 out of 5 stars 

    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

  16. Engineering the Fiber-Matrix Interface in Carbon Nanotube Composites

    0.0 out of 5 stars 

    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...

    https://nanohub.org/resources/1113

  17. Molecular Transport Structures: Elastic Scattering, Vibronic Effects and Beyond

    4.5 out of 5 stars 

    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...

    https://nanohub.org/resources/1018

  18. Nano-Scale Device Simulations Using PROPHET-Part II: PDE Systems

    5.0 out of 5 stars 

    22 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.

    https://nanohub.org/resources/975

  19. Nano-Scale Device Simulations Using PROPHET-Part I: Basics

    5.0 out of 5 stars 

    22 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.

    https://nanohub.org/resources/974

  20. Nano-Scale Device Simulations Using PROPHET

    5.0 out of 5 stars 

    22 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...

    https://nanohub.org/resources/973