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Computational thermodynamics : the CALPHAD method / Hans Lukas, Suzana G. Fries, Bo Sundman.

By: Lukas, H. L [author.].
Contributor(s): Fries, Suzana G [author.] | Sundman, Bo [author.].
Material type: materialTypeLabelBookPublisher: Cambridge : Cambridge University Press, 2007Description: 1 online resource (x, 313 pages) : digital, PDF file(s).Content type: text Media type: computer Carrier type: online resourceISBN: 9780511804137 (ebook).Subject(s): Thermodynamics | Thermodynamics -- Mathematical modelsAdditional physical formats: Print version: : No titleDDC classification: 621.4021 Online resources: Click here to access online
Contents:
Basis -- First principles and thermodynamic properties -- Experimental data used for the optimization -- Models for the Gibbs energy -- Assessment methodology -- Optimization tools -- Creating thermodynamic databases -- Case studies.
Summary: Phase diagrams are used in materials research and engineering to understand the interrelationship between composition, microstructure and process conditions. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior. Written by recognized experts in the field, this is an introductory guide to the CALPHAD method, providing a theoretical and practical approach. Building on core thermodynamic principles, this 2007 book applies crystallography, first principles methods and experimental data to computational phase behavior modeling using the CALPHAD method. With a chapter dedicated to creating thermodynamic databases, the reader will be confident in assessing, optimizing and validating complex thermodynamic systems alongside database construction and manipulation. Several case studies put the methods into a practical context, making this suitable for use on advanced materials design and engineering courses and an invaluable reference to those using thermodynamic data in their research or simulations.
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Title from publisher's bibliographic system (viewed on 05 Oct 2015).

Basis -- First principles and thermodynamic properties -- Experimental data used for the optimization -- Models for the Gibbs energy -- Assessment methodology -- Optimization tools -- Creating thermodynamic databases -- Case studies.

Phase diagrams are used in materials research and engineering to understand the interrelationship between composition, microstructure and process conditions. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior. Written by recognized experts in the field, this is an introductory guide to the CALPHAD method, providing a theoretical and practical approach. Building on core thermodynamic principles, this 2007 book applies crystallography, first principles methods and experimental data to computational phase behavior modeling using the CALPHAD method. With a chapter dedicated to creating thermodynamic databases, the reader will be confident in assessing, optimizing and validating complex thermodynamic systems alongside database construction and manipulation. Several case studies put the methods into a practical context, making this suitable for use on advanced materials design and engineering courses and an invaluable reference to those using thermodynamic data in their research or simulations.

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