Nanoscience is an area with increasing interest both in the physicochemical phenomena involved and the potential applications such as silicon carbide films, carbon nanotubes …
The next three articles provide examples of success stories in computational materials science. The papers are divided, loosely, in terms of length scales. Atomistic simulations …
Material properties emerge from phenomena on scales ranging from Angstroms to millimeters, and only a multiscale treatment can provide a complete understanding …
S Mohanty, RB Ross - … for Nanomaterials. Hoboken: John Wiley & …, 2008 - books.google.com
Modeling has increasingly become a tool for better proactive design, besides being a method to explain phenomena. In these functions it must be validated with experimental …
This book stems from the American Chemical Society symposium, Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap, that …
NM Ghoniem, K Cho - Computer Modeling in Engineering and …, 2002 - cdn.techscience.cn
As a result of surging interest in finding fundamental descriptions for the strength and failure properties of materials, and the exciting prospects of designing materials from their atomic …
Spatial inhomogeneity at some small length scale is the rule rather than the exception in most physicochemical processes ranging from advanced materials' synthesis, to catalysis, to …
The exploration of materials and their properties has for some time evolved beyond the Edisonian paradigm, in which one sets about an experimental investigation of the synthesis …
Computer simulations, based on ab initio, semi-empirical, or continuum approaches, are now a widespread tool for benchmarking experimental measurements in many areas of …