CALPHAD as a powerful technique for design and fabrication of thermoelectric materials

Xiaofang Li; Zhou Li; Chen Chen; Zhifeng Ren; Cuiping Wang; Xingjun Liu; Qian Zhang; Shuo Chen

doi:10.1039/D0TA12620A

CALPHAD as a powerful technique for design and fabrication of thermoelectric materials

Xiaofang Li,†^ab Zhou Li,†^a Chen Chen,^a Zhifeng Ren,

^b Cuiping Wang,

^c Xingjun Liu,*^ad Qian Zhang

*^ad and Shuo Chen

*^b

Author affiliations

* Corresponding authors

^a School of Materials Science and Engineering, Institute of Materials Genome & Big Data, Harbin Institute of Technology, Shenzhen, Guangdong 518055, P. R. China
E-mail: zhangqf@hit.edu.cn, xjliu@hit.edu.cn

^b Department of Physics and Texas Center for Superconductivity, University of Houston, Houston, Texas 77204, USA
E-mail: schen34@uh.edu

^c Department of Materials Science and Engineering, Xiamen University, Xiamen, Fujian 361005, P. R. China

^d State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin, Heilongjiang 150001, P. R. China

Abstract

Phase diagrams have always been used as a roadmap for materials research in terms of melting, casting, crystal growth, joining, solid-state reaction, heat treatment, phase transformation, and so on. CALPHAD (CALculation of PHAse Diagram) offers a theoretical instruction through a plausible simulation based on Gibbs energies, which could bypass some difficult experiments, extrapolate to a multicomponent-system or metastable region to get complete thermodynamic and kinetic properties, and improve the consistency and accuracy of the measured phase diagram. The present work takes thermoelectric materials as a paradigm, illustrating how to interpret and utilize phase diagrams as well as other thermodynamic information to design target materials, with the aid of multi-component CALPHAD-base databases and software. Two main aspects including phase design and microstructure modulation are delivered by the fundamentals of CALPHAD modeling and concrete examples of thermoelectric alloys. Opinions about the challenges and potentials of its applications in thermoelectric systems are also pointed out.

This article is part of the themed collections: Journal of Materials Chemistry A Recent Review Articles and Journal of Materials Chemistry A HOT Papers

Article information

https://doi.org/10.1039/D0TA12620A

Article type

Review Article

Submitted

31 Dec 2020

Accepted

10 Feb 2021

First published

11 Feb 2021

Download Citation

J. Mater. Chem. A, 2021,9, 6634-6649

Permissions

Request permissions

CALPHAD as a powerful technique for design and fabrication of thermoelectric materials

X. Li, Z. Li, C. Chen, Z. Ren, C. Wang, X. Liu, Q. Zhang and S. Chen, J. Mater. Chem. A, 2021, 9, 6634 DOI: 10.1039/D0TA12620A

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Journal of Materials Chemistry A

CALPHAD as a powerful technique for design and fabrication of thermoelectric materials

Abstract

Article information

Download Citation

Permissions

CALPHAD as a powerful technique for design and fabrication of thermoelectric materials

Social activity

Search articles by author

Spotlight

Advertisements