Computer Simulation of Solids

W. C. Mackrodt

ISBN 10: 3540115889 / ISBN 13: 9783540115885

Published by Springer Berlin Heidelberg, 1982

About this Item

Druck auf Anfrage Neuware - Printed after ordering - InhaltsangabeTheory of simulation methods for lattice and defect energy calculations in crystals.- Theory and calculation of defect entropies.- Characteristic volumes of point defects in tonic crystals.- Free energy calculations for crystals.- Molecular dynamics simulations of crystalline ionic materials.- Ab initio cluster calculations for defects in the solid state.- Computational methods for the electronic structure of defects in insulators.- Interatomic potentials in solids.- Potentials in metals.- Interionic potentials in ionic solids.- Interatomic potentials in covalent and semi-covalent solids.- Defect calculations for ionic materials.- Point defect calculations in metals.- Defect calculations in semiconductors.- Computer modelling of complex and massively disordered crystalline solids.- Aspects of the chemistry of phyllosilicates and intercalation in vermiculites.- Aggregation and precipitation in alkali halides.- Computer simulation of fast ton conductors.- Computer simulation of ionic crystal surfaces.- Long range order in non-stoichiometric oxides.

Seller Inventory # 9783540115885

Bibliographic Details

• Title: Computer Simulation of Solids
• Publisher: Springer Berlin Heidelberg
• Publication Date: 1982
• Language: English
• ISBN 10: 3540115889
• ISBN 13: 9783540115885
• Binding: Taschenbuch
• Condition: Neu
• Dimensions: 244W x 170H x 19D millimeters 244 millimeters width by 170 millimeters height by 19 millimeters depth
• Weight: 588 grams

About this title

Synopsis

Theory of simulation methods for lattice and defect energy calculations in crystals.- Theory and calculation of defect entropies.- Characteristic volumes of point defects in tonic crystals.- Free energy calculations for crystals.- Molecular dynamics simulations of crystalline ionic materials.- Ab initio cluster calculations for defects in the solid state.- Computational methods for the electronic structure of defects in insulators.- Interatomic potentials in solids.- Potentials in metals.- Interionic potentials in ionic solids.- Interatomic potentials in covalent and semi-covalent solids.- Defect calculations for ionic materials.- Point defect calculations in metals.- Defect calculations in semiconductors.- Computer modelling of complex and massively disordered crystalline solids.- Aspects of the chemistry of phyllosilicates and intercalation in vermiculites.- Aggregation and precipitation in alkali halides.- Computer simulation of fast ton conductors.- Computer simulation of ionic crystal surfaces.- Long range order in non-stoichiometric oxides.