LEADER 02850nam 22005532 450 001 9911006884103321 005 20160711104756.0 010 $a1-316-55187-3 010 $a1-316-55383-3 010 $a1-5231-0351-5 010 $a1-139-01826-4 035 $a(CKB)3710000000741574 035 $a(SSID)ssj0001697369 035 $a(PQKBManifestationID)16547262 035 $a(PQKBTitleCode)TC0001697369 035 $a(PQKBWorkID)14807841 035 $a(PQKB)25100032 035 $a(UkCbUP)CR9781139018265 035 $a(MiAaPQ)EBC4519432 035 $a(PPN)261330551 035 $a(EXLCZ)993710000000741574 100 $a20110216d2016|||| uy| 0 101 0 $aeng 135 $aur||||||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aComputational thermodynamics of materials /$fZi-Kui Liu, Yi Wang 210 1$aCambridge :$cCambridge University Press,$d2016. 215 $a1 online resource (vii, 251 pages) $cdigital, PDF file(s) 300 $aTitle from publisher's bibliographic system (viewed on 04 Jul 2016). 311 08$a0-521-19896-8 320 $aIncludes bibliographical references and index. 330 $aThis unique and comprehensive introduction offers an unrivalled and in-depth understanding of the computational-based thermodynamic approach and how it can be used to guide the design of materials for robust performances, integrating basic fundamental concepts with experimental techniques and practical industrial applications, to provide readers with a thorough grounding in the subject. Topics covered range from the underlying thermodynamic principles, to the theory and methodology of thermodynamic data collecting, analysis, modeling, and verification, with details on free energy, phase equilibrium, phase diagrams, chemical reactions, and electrochemistry. In thermodynamic modelling, the authors focus on the CALPHAD method and first-principles calculations. They also provide guidance for use of YPHON, a mixed-space phonon code developed by the authors for polar materials based on the supercell approach. Including worked examples, case studies, and end-of-chapter problems, this is an essential resource for students, researchers, and practitioners in materials science. 606 $aMaterials$xThermal properties 606 $aThermodynamics 606 $aHeat$xTransmission$xMathematical models 615 0$aMaterials$xThermal properties. 615 0$aThermodynamics. 615 0$aHeat$xTransmission$xMathematical models. 676 $a620.1/1296 700 $aLiu$b Zi-Kui$01824641 702 $aWang$b Yi$c(Writer on thermodynamics), 801 0$bUkCbUP 801 1$bUkCbUP 906 $aBOOK 912 $a9911006884103321 996 $aComputational thermodynamics of materials$94391851 997 $aUNINA