Computer Simulation of Solids

Häftad, Engelska, 1982

AvC. R. A. Catlow,W. C. Mackrodt,C. R. a. Catlow

689 kr

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Produktinformation

Utgivningsdatum1982-10-08
Mått170 x 244 x 19 mm
Vikt588 g
FormatHäftad
SpråkEngelska
SerieLecture Notes in Physics
Antal sidor325
FörlagSpringer-Verlag Berlin and Heidelberg GmbH & Co. KG
ISBN9783540115885

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Materietillstånd inom Naturvetenskap och teknik

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.

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