000			02304nam a22003498i 4500
001			CR9781139018265
003			UkCbUP
005			20200124160335.0
006			m|||||o||d||||||||
007			cr||||||||||||
008			110216s2016||||enk o ||1 0|eng|d
020			_a9781139018265 (ebook)
020			_z9780521198967 (hardback)
040			_aUkCbUP _beng _erda _cUkCbUP
050	0	0	_aTA418.52 _b.L58 2016
082	0	0	_a620.1/1296 _223
100	1		_aLiu, Zi-Kui, _eauthor.
245	1	0	_aComputational thermodynamics of materials / _cZi-Kui Liu, Yi Wang.
264		1	_aCambridge : _bCambridge University Press, _c2016.
300			_a1 online resource (vii, 251 pages) : _bdigital, PDF file(s).
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
500			_aTitle from publisher's bibliographic system (viewed on 04 Jul 2016).
520			_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.
650		0	_aMaterials _xThermal properties.
650		0	_aThermodynamics.
650		0	_aHeat _xTransmission _xMathematical models.
700	1		_aWang, Yi. _c(Writer on thermodynamics), _eauthor.
776	0	8	_iPrint version: _z9780521198967
856	4	0	_uhttps://doi.org/10.1017/CBO9781139018265
999			_c522917 _d522915