- Format
- Häftad (Paperback / softback)
- Språk
- Engelska
- Antal sidor
- 325
- Utgivningsdatum
- 1982-10-01
- Förlag
- Springer-Verlag Berlin and Heidelberg GmbH & Co. K
- Medarbetare
- Catlow, C. R. A. (ed.), Mackrodt, W. C. (ed.)
- Illustrationer
- XII, 325 p.
- Dimensioner
- 244 x 170 x 18 mm
- Vikt
- Antal komponenter
- 1
- Komponenter
- 1 Paperback / softback
- ISBN
- 9783540115885
- 540 g
Computer Simulation of Solids
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Mass Transport in Solids
F Bnire, C R A Catlow
Atomic transport in solids is a field of growing importance in solid state physics and chemistry, and one which, moreover, has important implications in several areas of materials science. This growth is due first to an increase in the understandi...
Innehållsförteckning
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.