Materials Transactions Online

Materials Transactions, Vol.59 No.04 (2018) pp.580-584
© 2018 The Japan Institute of Metals and Materials

Description of Thermal Vacancies in the CALPHAD Method

Taichi Abe1, 2, Kiyoshi Hashimoto2 and Masato Shimono2

1Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science, Tsukuba 305-0047, Japan
2Research Center for Structural Materials, National Institute for Materials Science, Tsukuba 305-0047, Japan

Thermal vacancies in solids have not been treated explicitly in the CALPHAD-type thermodynamic assessments because it was considered that their contributions to the Gibbs energy were limited, even at the melting point. However, the vacancy fraction is necessary for dynamic simulations, such as precipitations and diffusion processes. In this paper, a procedure is proposed to set parameters in the CALPHAD-type assessments, to reproduce the temperature dependency of thermal vacancies in pure metals and solid solutions.


(Received 2017/11/02; Accepted 2018/01/22; Published 2018/03/25)

Keywords: point defect, substitutional solid solution, sublattice model, thermodynamic database, mono vacancy

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