期刊
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
卷 22, 期 3, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0965-0393/22/3/034003
关键词
coherent precipitation; NiTi shape memory alloys; diffusion; elastic energy
资金
- ThyssenKrupp Steel Europe AG
- Bayer MaterialScience AG
- Salzgitter Mannesmann Forschung GmbH
- Robert Bosch GmbH
- Benteler Steel/Tube GmbH
- Bayer Technology Services GmbH
- state of North-Rhine Westphalia
- European Commission
- Sino-German cooperation group 'Microstructure of Aluminium Alloys' [GZ755]
Formation of the Ni4Ti3 precipitate has a strong effect on the shape memory properties of NiTi alloys. In this work, growth of this precipitate is studied using phase-field modelling and density functional theory (DFT) calculations. Using first-principles calculations, the composition-dependent stability and elastic properties of the B2 phase are obtained. Composition-dependent elastic constants are incorporated into our phase-field model to investigate the interplay between stress and concentration fields around the precipitate. The model introduces a source of diffusion due to mechanical relaxation which is accompanied by local softening/hardening of the B2 phase. The results are discussed in light of previous experimental and simulation studies.
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