LEADER 02796nam 22004935 450 001 996466813803316 005 20200701040820.0 010 $a3-540-39347-1 024 7 $a10.1007/BFb0017927 035 $a(CKB)1000000000230193 035 $a(SSID)ssj0000322143 035 $a(PQKBManifestationID)12116364 035 $a(PQKBTitleCode)TC0000322143 035 $a(PQKBWorkID)10281195 035 $a(PQKB)11058413 035 $a(DE-He213)978-3-540-39347-4 035 $a(PPN)155182803 035 $a(EXLCZ)991000000000230193 100 $a20121227d1982 u| 0 101 0 $aeng 135 $aurnn|008mamaa 181 $ctxt 182 $cc 183 $acr 200 10$aComputer Simulation of Solids$b[electronic resource] /$fedited by C. R. A. Catlow, W. C. Mackrodt 205 $a1st ed. 1982. 210 1$aBerlin, Heidelberg :$cSpringer Berlin Heidelberg :$cImprint: Springer,$d1982. 215 $a1 online resource (XII, 325 p.) 225 1 $aLecture Notes in Physics,$x0075-8450 ;$v166 300 $aBibliographic Level Mode of Issuance: Monograph 311 $a3-540-11588-9 327 $aTheory of simulation methods for lattice and defect energy calculations in crystals -- Theory and calculation of defect entropies -- Characteristic volumes of point defects in tonic crystals -- Free energy calculations for crystals -- Molecular dynamics simulations of crystalline ionic materials -- Ab initio cluster calculations for defects in the solid state -- Computational methods for the electronic structure of defects in insulators -- Interatomic potentials in solids -- Potentials in metals -- Interionic potentials in ionic solids -- Interatomic potentials in covalent and semi-covalent solids -- Defect calculations for ionic materials -- Point defect calculations in metals -- Defect calculations in semiconductors -- Computer modelling of complex and massively disordered crystalline solids -- Aspects of the chemistry of phyllosilicates and intercalation in vermiculites -- Aggregation and precipitation in alkali halides -- Computer simulation of fast ton conductors -- Computer simulation of ionic crystal surfaces -- Long range order in non-stoichiometric oxides. 410 0$aLecture Notes in Physics,$x0075-8450 ;$v166 606 $aCondensed matter 606 $aCondensed Matter Physics$3https://scigraph.springernature.com/ontologies/product-market-codes/P25005 615 0$aCondensed matter. 615 14$aCondensed Matter Physics. 676 $a530.41 702 $aCatlow$b C. R. A$4edt$4http://id.loc.gov/vocabulary/relators/edt 702 $aMackrodt$b W. C$4edt$4http://id.loc.gov/vocabulary/relators/edt 906 $aBOOK 912 $a996466813803316 996 $aComputer simulation of solids$91118136 997 $aUNISA