In many branches of materials science it is now routine to generate data sets of such large
size and dimensionality that conventional methods of analysis fail. Paradigms and tools from …

This review summarizes the most recent advances in multifunctional polymer
nanocomposites reinforced by carbon nanotubes and aims to stimulate further research in …

Classical molecular dynamics simulates the time evolution of molecular systems through the
phase space spanned by the positions and velocities of the constituent atoms. Molecular …

Disorder and long-range interactions are two of the key components that make material
failure an interesting playfield for the application of statistical mechanics. The cornerstone in …

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 …

The elasticity of a solid can vary depending on its state of deformation. For example, metals
will soften and polymers may stiffen as they are deformed to levels approaching failure. It is …

Nanotechnology is a progressive research and development topic with large amounts of
venture capital and government funding being invested worldwide. Nano mechanics, in …

The multiscale simulation is important to the development of nanotechnology and to the
study of materials and systems across multiple length scales. In order to develop an efficient …

A computational method (CADD) is presented whereby a continuum region containing
dislocation defects is coupled to a fully atomistic region. The model is related to previous …

We report a study of dynamic cracking in a silicon single crystal in which the ReaxFF
reactive force field is used for several thousand atoms near the crack tip, while more than …