Computer Simulation of Solids (Lecture Notes in Physics) - Softcover

Softcover

ISBN 10: 0387115889 ISBN 13: 9780387115887

Publisher: Springer-Verlag, 1982

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.

Edition details

• Publisher: Springer-Verlag
• Publication date: 1982
• Language: English
• ISBN 10: 0387115889
• ISBN 13: 9780387115887
• Binding: Paperback
• Number of pages: 320