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Computer simulation of solids / edited by C.R.A. Catlow and W.C. Mackrodt.

Contributor(s): Material type: TextTextSeries: Lecture notes in physics ; 166.Publication details: Berlin ; New York : Springer-Verlag, 1982.Description: 1 online resource (xii, 320 pages) : illustrationsContent type:
  • text
Media type:
  • computer
Carrier type:
  • online resource
ISBN:
  • 9783540393474
  • 3540393471
Subject(s): Additional physical formats: Print version:: Computer simulation of solids.DDC classification:
  • 530.4/1/0724 19
LOC classification:
  • QC176 .C583 1982
Online resources:
Contents:
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.
Action note:
  • digitized 2011 HathiTrust Digital Library committed to preserve
Holdings
Item type Current library Collection Call number Status Date due Barcode Item holds
eBook eBook e-Library eBook LN Physics Available
Total holds: 0

Includes bibliographical references and indexes.

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Print version record.

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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