LEADER 02856nam 2200661 a 450 001 9910812798703321 005 20200520144314.0 010 $a0-19-191661-7 010 $a1-280-96503-7 010 $a0-19-151366-0 010 $a1-4294-5992-1 035 $a(CKB)1000000000471516 035 $a(EBL)415189 035 $a(OCoLC)437093041 035 $a(SSID)ssj0000127942 035 $a(PQKBManifestationID)11147640 035 $a(PQKBTitleCode)TC0000127942 035 $a(PQKBWorkID)10052529 035 $a(PQKB)10278018 035 $a(MiAaPQ)EBC415189 035 $a(StDuBDS)EDZ0002351313 035 $a(Au-PeEL)EBL415189 035 $a(CaPaEBR)ebr10271468 035 $a(CaONFJC)MIL96503 035 $a(OCoLC) 71350556 035 $a(FINmELB)ELB161995 035 $a(EXLCZ)991000000000471516 100 $a20060914d2006 uy 0 101 0 $aeng 135 $aur|n|---||||| 181 $ctxt 182 $cc 183 $acr 200 10$aComputer simulations of dislocations /$fVasily V. Bulatov, Wei Cai 205 $a1st ed. 210 $aOxford ;$aNew York $cOxford University Press$d2006 215 $a1 online resource (301 p.) 225 1 $aOxford series on materials modelling ;$v3 300 $aPreviously issued in print: 2006. 311 $a0-19-967406-X 311 $a0-19-852614-8 320 $aIncludes bibliographical references (p. [275]-280) and index. 327 $aContents; 1 Introduction to Crystal Dislocations; 1.1 Perfect Crystal Structures; 1.2 The Concept of Crystal Dislocations; 1.3 Motion of a Crystal Dislocation; I: ATOMISTIC MODELS; 2 Fundamentals of Atomistic Simulations; 3 Case Study of Static Simulation; 4 Case Study of Dynamic Simulation; 5 More about Periodic Boundary Conditions; 6 Free-energy Calculations; 7 Finding Transition Pathways; II: CONTINUUM MODELS; 8 Peierls-Nabarro Model of Dislocations; 9 Kinetic Monte Carlo Method; 10 Line Dislocation Dynamics; 11 Phase Field Method; Bibliography; Subject Index; A; B; C; D; E; F; G; H; I; K 327 $aLM; O; P; R; S; T; V; W; Y; Z 330 8 $aPresenting a variety of methods for computer simulations of crystal defects in the form of 'numerical recipes', complete with computer codes and analysis tools, this text provides a useful starter kit for further method development in the computational materials sciences. 410 0$aOxford series on materials modelling ;$v3. 606 $aDislocations in crystals$xComputer simulation 615 0$aDislocations in crystals$xComputer simulation. 676 $a548/.842 700 $aBulatov$b Vasily V$01595758 701 $aCai$b Wei$f1977-$021811 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910812798703321 996 $aComputer simulations of dislocations$93916832 997 $aUNINA