期刊
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
卷 50, 期 -, 页码 6-22出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.calphad.2015.04.002
关键词
Materials design; Classical thermodynamics; Computational thermodynamics; Calphad; Integrated Computational materials engineering; Alloy development
类别
资金
- National Science Foundation [CMMI-1432688, DMR1005762]
- U.S. Department of Energy [DE-EE0005753, DE-EE0006450]
- United States Automotive Materials Partnership (a consortium of GM, Ford and Chrysler)
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1005762] Funding Source: National Science Foundation
- Div Of Civil, Mechanical, & Manufact Inn
- Directorate For Engineering [1432688] Funding Source: National Science Foundation
This paper presents an overview and examples of material design and development using (1) classical thermodynamics; (2) CALPHAD (calculation of phase diagrams) modeling; and (3) Integrated Computational Materials Engineering (ICME) approaches. Although the examples are given in lightweight aluminum and magnesium alloys for structural applications, the fundamental methodology and modeling principles are applicable to all materials and engineering applications. The examples in this paper have demonstrated the effectiveness and limitations of classical thermodynamics in solving specific problems (such as nucleation during solidification and solid-state precipitation in aluminum alloys). Computational thermodynamics and CALPHAD modeling, when combined with critical experimental validation, have been used to guide the selection and design of new magnesium alloys for elevated-temperature applications. The future of material design and development will be based on a holistic ICME approach. However, key challenges exist in many aspects of ICME framework, such as the lack of diffusion/mobility databases for many materials systems, limitation of current microstructural modeling capability and integration tools for simulation codes of different length scales. (C) 2015 Elsevier Ltd. All rights reserved.
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