Journal
MATERIALS & DESIGN
Volume 213, Issue -, Pages -Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.matdes.2021.110331
Keywords
Hcp titanium; Twin boundary; First-principles calculation; Twin boundary energy; Twin boundary strength
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Funding
- National Natural Science Foundation of China [11832019, 11472313, 13572355]
- NSFC Original Exploratory Program
- Project of Nuclear Power Technology Innovation Center of Science Technology and Industry for National Defense [HDLCXZX-2019-ZH-31]
- Guangdong International Science and Technology Coorperation Program [2020A0505020005]
- Fundamental Research Funds for the Central Universities
- State Key Laboratory of Powder Metallurgy, Central South University, Changsha, China
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This study used first-principles calculations and tensile tests to investigate the effects of 14 metallic solutes on twin boundaries in Ti alloys. By calculating twin formation energies and examining segregation energy, the study identified how solutes influence twin boundary strength, ultimately determining maximum TB strength.
We performed first-principles calculations to determine the effects of 14 metallic solutes on twin boundary (TB) energy and strength/embrittlement in Ti alloys, with Ti {1 0 (1) over bar 2} and {1 0 (1) over bar 1} TBs as models. Twin formation energies were calculated to identify the effects of solutes on TB stability. Segregation energy and the associated segregation concentration and solubility energy were examined to identify the existence states of the solutes. The influences of solutes on TB strength were identified through strengthening/embrittling energy and its mechanical and chemical contributions. Tensile tests were performed using the uniaxial-strain loading and the uniaxial-stress loading methods to determine maximum TB strength. (C) 2021 The Authors. Published by Elsevier Ltd.
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