Computer Simulation of Solids [electronic resource] / edited by C. R. A. Catlow, W. C. Mackrodt.
Material type: TextSeries: Lecture Notes in Physics ; 166Publisher: Berlin, Heidelberg : Springer Berlin Heidelberg, 1982Description: XII, 325 p. online resourceContent type: text Media type: computer Carrier type: online resourceISBN: 9783540393474Subject(s): Physics | Condensed matter | Physics | Condensed MatterAdditional physical formats: Printed edition:: No titleDDC classification: 530.41 LOC classification: QC173.45-173.458Online resources: Click here to access onlineCurrent library | Home library | Call number | Materials specified | URL | Status | Date due | Barcode |
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IMSc Library | IMSc Library | Link to resource | Available | EBK2338 |
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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