Tags: multiscale models

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.

Resources (21-31 of 31)

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

    05 Jan 2006 | | 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 Nanoelectromechanical Systems (NEMS). Numerical results will be presented for several silicon...

  2. First Principles-based Atomistic and Mesoscale Modeling of Materials

    01 Dec 2005 | | 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) simulations and iii) mesoscale modeling, together with the strategies to bridge between them....

  3. Bandstructure in Nanoelectronics

    01 Nov 2005 | | 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 to be included in the device modeling. Atomistic bandstructure effects in resonant tunneling...

  4. On the Reliability of Micro-Electronic Devices: An Introductory Lecture on Negative Bias Temperature Instability

    28 Sep 2005 | | 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 invention of bipolar transistors several years later. In 1960s, scientists at Fairchild worked...

  5. Modeling and Simulation of Sub-Micron Thermal Transport

    26 Sep 2005 | | 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, thermo-electric energy conversion, ultra-fast laser machining and many others. It is now accepted that...

  6. Parallel Computing for Realistic Nanoelectronic Simulations

    12 Sep 2005 | | 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 the involved physics and the need to model realistically extended devices increases the...

  7. Numerical Aspects of NEGF: The Recursive Green Function Algorithm

    14 Jun 2004 | | Contributor(s):: Gerhard Klimeck

    Numerical Aspects of NEGF: The Recursive Green Function Algorithm

  8. HPC and Visualization for multimillion atom simulations

    21 Jun 2005 | | 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.

  9. NanoMOS 2.5 Source Code Download

    22 Feb 2005 | | Contributor(s):: , 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 transport, quantum ballistic, and quantum diffusive). The transport models treat quantum effects in the...

  10. Multiscale Modeling of the Mechanical Behavior of Polymer-Based Nanocomposites

    25 Mar 2004 |

    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 volume fraction. Most interestingly, combinations of exceptional properties may be obtained as, for...

  11. Quantum Electromechanical Systems: Are we there yet?

    05 Feb 2004 | | 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 equilibrium by applying the voltage across the conductor, one may control this electromechanical noise.