Computer Simulation of Solids
Computer Simulation of Solids [electronic resource] /
edited by C. R. A. Catlow, W. C. Mackrodt.
- XII, 325 p. online resource.
- Lecture Notes in Physics, 166 0075-8450 ; .
- Lecture Notes in Physics, 166 .
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.
9783540393474
10.1007/BFb0017927 doi
Physics.
Condensed matter.
Physics.
Condensed Matter Physics.
QC173.45-173.458
530.41
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.
9783540393474
10.1007/BFb0017927 doi
Physics.
Condensed matter.
Physics.
Condensed Matter Physics.
QC173.45-173.458
530.41