Polymer nanocomposites offer a wide range of promising applications because of their
much enhanced properties arising from the reinforcement of nanoparticles. However, further …

Important advances in multi-scale computer simulation techniques for computational
materials science have been made in the last decade as scientists and engineers strive to …

We present a new method for coupling molecular dynamics (MD) and continuum mechanics
simulations that is based on the projection of the MD solution onto the coarse scale shape …

Abstract The Quasicontinuum (QC) Method, originally conceived and developed by Tadmor,
Ortiz and Phillips [1] in 1996, has since seen a great deal of development and application by …

Many arenas of research are rapidly advancing due to a combined effort between
engineering and science. In some cases, fields of research that were stagnating under the …

Successful deposition and mechanical probing of nearly spherical, defect-free silicon
nanospheres has been accomplished. The results show silicon at this length scale to be up …

The recent decades have seen various attempts at accelerating the process of developing
materials targeted towards specific applications. The performance required for a particular …

The advent of quantum computers, operating on entirely different physical principles and
abstractions from those of classical digital computers, sets forth a new computing paradigm …

Chemical engineers are turning to multiscale modelling to extend traditional modelling
approaches into new application areas and to achieve higher levels of detail and accuracy …

A multi-scale hierarchical constitutive model is developed for establishing the relationship
between quantum mechanical, micromechanical, and overall strength/toughness properties …