Description: A critical issue for nano-technology is the ability to understand, model, and simulate the behavior of the small structures and to make the connection between structure properties and functions. Most nano-systems are too small for direct measurements but too large to be described by current rigorous first principles in theoretical and computational methods. They exhibit too many fluctuations to be treated monolithically in time and space, and too few to be described by a statistical ensemble. The vital role of molecular modeling in this field is to enable engineering design, at the component and systems level, to set the objectives that could guide laboratory efforts at physical implementation.

Materials modeling and simulation helps to understand and control materials structure, properties, and processes. These phenomena are determined across a range of length and time scales, each requiring specialist modeling technologies. Today’s computing power is proving invaluable in the research behind the miniaturization. Computer molecular modeling and simulation is being used in the drive to advance the exciting and cutting edge scientific field of nanotechnology, enabling scientists to visualize and predict behavior at the nanoscale. And with the major cost vs. performance barrier being blown away by today’s rapid computing developments, these techniques are set to become widespread throughout all research and development, not just in nanotechnology.
Presentations are invited on topics related to novel approaches of modeling and simulating nano structured materials with emphasis on nano mechanics. Topics of interest include, but are not limited to:

• Multiscale modeling and simulations of nano structured materials.
• Atomistic / continuum coupling.
• Advanced Nanocomposite Systems.
• Quasi continuum and equivalent continuum approaches.
• Molecular Dynamic Simulations.
• Modeling and simulation of interface in nano composite systems.
• Nano mechanics of clay and graphite platelet composites.
• Boron-nitride nanotubes.
• Bond breaking and damage nucleation in nano materials.
• Effect of impurities on mechanical properties of CNT composites.