Many-Atom Interactions in Solids: Proceedings of the International Workshop, Pajulahti, Finland, June 5-9, 1989

ISBN-13: 9783642757556 / Angielski / Miękka / 2011 / 319 str.

Risto M. Nieminen; Martti J. Puska; Matti J. Manninen

Opis

This book contains the proceedings of the international workshop on Many-Atom Interactions in Solids, which was held June 5-9, 1989, in Pajulahti, Finland. The purpose of the workshop was to bring together physicists, chemists and materials scientists working in the field of interatomic interactions and their applications in computer simulations of condensed matter. The workshop attracted a good fraction of the active groups in the field, and created lively discussion and interchange of ideas. The contributions in this volume have been grouped by the editors into review type articles and more specific applications to different topics. The order of the articles does not follow the order of the presentations in the workshop. The editors wish to express their gratitude first of all to all the workshop par ticipants for creating an enjoyable and fruitful workshop and to the contributors for their efforts in putting together these proceedings. We hope that this volume will be a useful resource for practitioners in and newcomers to this exciting field. We would like to thank Jens N l1rskov for his help in planning the scientific pro gramme and Eija Jarvinen for taking care of most of the practical arrangements of the workshop. The workshop was made possible by financial support from the Finnish Ministry of Education, the Research Institute for Theoretical Physics (Helsinki), NORDITA (Copenhagen), and Helsinki University of Technology."

Spis treści

I General Reviews.- to Many-Atom Interactions in Solids.- Volume and Pair Forces in Solids and Liquids.- The Effective-Medium Theory.- The Embedded Atom Method: A Review.- From Exact to Approximate Theory: The Tight Binding Bond Model and Many-Body Potentials.- Implications of the Embedded-Atom Method Format.- Molecular Dynamics Simulations of Materials Phenomena.- Atoms Embedded in Electron Gas.- The Structural and Electronic Properties of Molten Metals, Semimetals, and Semiconductors.- II Metals.- First-Principles Interatomic Potentials in Transition Metals: Multi-ion Interactions and Their Analytic Representation.- The Effective-Medium Theory Beyond the Nearest Neighbour Interaction.- Defect Migration in Perfect Lattices.- Dynamic Simulations of Dislocation Core Structures in Gold Using Many- Atom Interactions.- One-Electron Energy Corrections in the Effective-Medium Theory: Application to Copper Clusters.- Dynamic Methods for Electronic Problems.- III Semiconductors and Covalent Materials.- Simulated Annealing Studies of Sulphur and Selenium Clusters.- Effective-Medium Theory: Considering Corrections and Delimitations.- Improved Tight Binding Parameters for Silicon.- A Pair Potential Model of Covalent Bonding in Silicon.- Derivation of Angular Forces for Semiconductors and Transition Metals.- Molecular Dynamics and Tight-Binding.- IV Surface Phenomena.- Linear Surface Model and the Environment-Dependent Effective Pair Potential.- Simulation of Surface Premelting.- Hydrogen Diffusion on Metal Surfaces — Nonadiabatic Effects.- Molecular Dynamics Simulations for Molecular Beam Epitaxy.- Initial Stages of Oxidation of Al(lll).- Index of Contributors.