Computational diffusion kinetics and its applications in study and design of rare metallic materials

• Published in: Chinese science bulletin 2014-05, Vol.59 (15), p.1672-1683
• Main Authors: Cui, Yuwen, Xu, Guanglong, Chen, Yi, Tang, Bin, Li, Jinshan, Zhou, Lian
• Format: Article
• Language: English
• Subjects: alloys; CDK; Chemistry/Food Science; Computation; Computer simulation; Diffusion; Earth Sciences; Engineering; experimental design; Heat treatment; Humanities and Social Sciences; Life Sciences; Mathematical models; microstructure; multidisciplinary; Phase transformations; Physics; Review; Science; Science (multidisciplinary); thermodynamics; Three dimensional; titanium; Titanium base alloys; zirconium; 合金设计; 应用; 微观结构; 扩散动力学; 材料设计; 相图计算技术; 金属材料
• ISSN: 1001-6538; 1861-9541
• DOI: 10.1007/s11434-014-0127-7

Computational diffusion kinetics （CDK）, with a spirit of and being coupled with the computational thermodynamics （CT, or called as the CALPHAD technique）, plays increasingly important role in the alloy design/optimization and microstructure control during the processing of advanced metallic materials. This paper is to highlight recent progress of CDK in research with great focus on novel Ti and Zr alloys, which was largely performed in the authors＇ group. It ends with one representative example of the applications of CDK, coupled with CT, quantitative phase field, and three-dimen- sional （3D） statistical calculation, in designing the heat- treatment schedule for the dual phase （α β） Ti-6A1-4V alloys.