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1 - Introduction

Published online by Cambridge University Press:  03 February 2011

Hans Lukas
Affiliation:
Max-Planck Institute, Stuttgart
Suzana G. Fries
Affiliation:
SGF Scientific Consultancy
Bo Sundman
Affiliation:
Royal Institute of Technology, Stockholm
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Summary

The Calphad technique has reached maturity. It started from a vision of combining data from thermodynamics, phase diagrams, and atomistic properties such as magnetism into a unified and consistent model. It is now a powerful method in a wide field of applications where modeled Gibbs energies and derivatives thereof are used to calculate properties and simulate transformations of real multicomponent materials. Chemical potentials and the thermodynamic factor (second derivatives of the Gibbs energy) are used in diffusion simulations. The driving forces of the phases are used to simulate the evolution of microstructures on the basis of the Landau theory. In solidification simulations the fractions of solid phases and the segregation of components, as well as energies of metastable states, which are experimentally observed by carrying out rapid solidification, are used. Whenever the thermodynamic description of a system is required, the Calphad technique can be applied.

The successful use of Calphad in these applications relies on the development of multicomponent databases, which describe many different kinds of thermodynamic functions in a consistent way, all checked to be consistent with experimental data. The construction of these databases is still a very demanding task, requiring expertise and experience. There are many subjective factors involved in the decisions to be made when judging and selecting which among redundant experimental data are the most trustworthy. Even more subjective is the assessment of phases of which little or nothing is known, except perhaps in a narrow composition and temperature range.

Type
Chapter
Information
Computational Thermodynamics
The Calphad Method
, pp. 1 - 6
Publisher: Cambridge University Press
Print publication year: 2007

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  • Introduction
  • Hans Lukas, Max-Planck Institute, Stuttgart, Suzana G. Fries, SGF Scientific Consultancy, Bo Sundman, Royal Institute of Technology, Stockholm
  • Book: Computational Thermodynamics
  • Online publication: 03 February 2011
  • Chapter DOI: https://doi.org/10.1017/CBO9780511804137.002
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  • Introduction
  • Hans Lukas, Max-Planck Institute, Stuttgart, Suzana G. Fries, SGF Scientific Consultancy, Bo Sundman, Royal Institute of Technology, Stockholm
  • Book: Computational Thermodynamics
  • Online publication: 03 February 2011
  • Chapter DOI: https://doi.org/10.1017/CBO9780511804137.002
Available formats
×

Save book to Google Drive

To save content items to your account, please confirm that you agree to abide by our usage policies. If this is the first time you use this feature, you will be asked to authorise Cambridge Core to connect with your account. Find out more about saving content to Google Drive.

  • Introduction
  • Hans Lukas, Max-Planck Institute, Stuttgart, Suzana G. Fries, SGF Scientific Consultancy, Bo Sundman, Royal Institute of Technology, Stockholm
  • Book: Computational Thermodynamics
  • Online publication: 03 February 2011
  • Chapter DOI: https://doi.org/10.1017/CBO9780511804137.002
Available formats
×