Special section on molecular dynamics simulations

Abstract

This special section on molecular dynamics (MD) simulations is based on presentations at the recent conference `International Anniversary Symposium on Molecular Dynamics Simulations' which was held on 29–31 August 2005, at Osaka University Nakanoshima Center, Osaka, Japan.Fifty-six researchers including four invited speakers got together at this international symposium and presented their original studies in oral or poster format. This is part of a series of symposia which started about 10 years ago. Every year a symposium has been held at a Japanese venue, organized by members of the molecular dynamics committee, Japan Society of Materials Science (JSMS). The object of the symposia is to bring researchers together and to discuss new perspectives concerning MD simulations. Attention has been directed at (but not limited to) the following materials-engineering-science or solid-mechanics fields: the strength of materials, materials interfaces, materials design and new materials, micromechanics, microstructure, deformation process, fracture mechanics and simulation methodology. Last year, we reached the 10th anniversary milestone successfully holding the conference as planned. We appreciate the efforts of all the people involved.Owing to the rapid and expanding development of our computational environment, MD simulation which directly and solely chases atomic motions in materials has now come to be widely utilized for obtaining microscopic viewpoints and insights, not only by the pure physicist or pure chemist, but also by engineering scientists, engineers, and scientists in industry. There has been development of new algorithms or methods in MD simulation in the last decade. Also, the applicable field of MD seems to be spreading, but its basic methodology is being maintained and is still beneficial.In this special section, the subjects covered by the papers are located in the relatively broad range of material engineering and science: carbon nanotubes, phase transformation, materials interfaces, amorphous, metallic glass, dislocation, nanocrystalline structure, polymers, ceramics, semiconductors, potential function, modelling of dynamical systems and nanofluidics. All the articles in this special section have gone through the journal's peer review process with contributions from the authors, referees, and the Editorial Board of Modelling and Simulation in Materials Science and Engineering.We would like to thank all the contributors to the symposium, the authors of this special section, the co-organizers, and the Editorial Board of Modelling and Simulation in Materials Science and Engineering.