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Phase Transformation Assisted Twinning in Face-Centered-Cubic FeCrNiCoAl 0.36

42 Pages Posted: 3 Jun 2019 Publication Status: Accepted

See all articles by Peijun Yu

Peijun Yu

City University of Hong Kong (CityU) - Department of Mechanical Engineering

Rui Feng

University of Tennessee, Knoxville - Department of Material Science and Engineering

Junping Du

Osaka University - Department of Mechanical Science and Bioengineering; Kyoto University - Center for Elements Strategy Initiative for Structural Materials (ESISM)

Jyh-Pin Chou

City University of Hong Kong (CityU) - Department of Mechanical Engineering

Bilin Chen

University of Tennessee, Knoxville - Department of Material Science and Engineering

Yu-Chieh Lo

National Chiao Tung University - Department of Materials Science and Engineering

Peter K. Liaw

University of Tennessee, Knoxville - Department of Material Science and Engineering

Shigenobu Ogata

Osaka University - Department of Mechanical Science and Bioengineering; Kyoto University - Center for Elements Strategy Initiative for Structural Materials (ESISM)

Alice Hu

City University of Hong Kong (CityU) - Department of Mechanical Engineering; City University of Hong Kong (CityU) - Department of Materials Science and Engineering; City University of Hong Kong (CityU) - Shenzhen Research Institute

Abstract

The FeNiCoCr-based high entropy alloys (HEAs) exhibit excellent mechanical properties, such as twin-induced plasticity (TWIP) and phase transformation plasticity (TRIP) that can reach a remarkable combination of strength and ductility. In this work, the face-centered-cubic (FCC) single-crystal FeNiCoCrAl0.36 HEAs were studied, using the density functional theory (DFT) combined with the phonon calculation to estimate the stacking fault energies, temperature-dependent phase stabilities of different structures. And the kinetic Monte Carlo (kMC) is used to predict the substructures evolution based on the transition state energies obtained from DFT calculations. We proposed two different formation paths of nano-twins in this Al-composited HEA and found that short-range hexagonal-close-packed (HCP)-stacking could occur in this HEA. DFT calculations suggest that this HEA has negative stacking fault energy, HCP formation energy, and twin-formation energy at 0 K. Phonon calculations represent that at the finite temperature, the competing FCC/HCP phase stability and propensity for twinning makes it possible to form HCP-like twin boundaries. The kMC simulations suggest that under deformation, HCP substructures could form followed by twins which differs to the study of others. With the great agreement of results from kMC simulations and experiments, this twin-formation path offers a new concept of designing TWIP HEAs containing tunable twin structures with HCP and TWIN lamellae structures, which results in better mechanical properties of HEAs.

Keywords: high entropy alloy, twinning, phase transformation, first principles, phase stability

Suggested Citation

Yu, Peijun and Feng, Rui and Du, Junping and Chou, Jyh-Pin and Chen, Bilin and Lo, Yu-Chieh and Liaw, Peter K. and Ogata, Shigenobu and Hu, Alice, Phase Transformation Assisted Twinning in Face-Centered-Cubic FeCrNiCoAl 0.36 (June 1, 2019). Available at SSRN: https://ssrn.com/abstract=3397337 or http://dx.doi.org/10.2139/ssrn.3397337

Peijun Yu

City University of Hong Kong (CityU) - Department of Mechanical Engineering

83 Tat Chee Avenue
Kowloon
Hong Kong

Rui Feng

University of Tennessee, Knoxville - Department of Material Science and Engineering

Knoxville, TN 37996
United States

Junping Du

Osaka University - Department of Mechanical Science and Bioengineering

Osaka
Japan

Kyoto University - Center for Elements Strategy Initiative for Structural Materials (ESISM)

Kyoto
Japan

Jyh-Pin Chou

City University of Hong Kong (CityU) - Department of Mechanical Engineering

83 Tat Chee Avenue
Kowloon
Hong Kong

Bilin Chen

University of Tennessee, Knoxville - Department of Material Science and Engineering

Knoxville, TN 37996
United States

Yu-Chieh Lo

National Chiao Tung University - Department of Materials Science and Engineering

Hsinchu, 30010
Taiwan

Peter K. Liaw

University of Tennessee, Knoxville - Department of Material Science and Engineering ( email )

Knoxville, TN 37996
United States

Shigenobu Ogata (Contact Author)

Osaka University - Department of Mechanical Science and Bioengineering ( email )

Osaka
Japan

Kyoto University - Center for Elements Strategy Initiative for Structural Materials (ESISM) ( email )

Kyoto
Japan

Alice Hu

City University of Hong Kong (CityU) - Department of Mechanical Engineering ( email )

83 Tat Chee Avenue
Kowloon
Hong Kong

City University of Hong Kong (CityU) - Department of Materials Science and Engineering

Hong Kong

City University of Hong Kong (CityU) - Shenzhen Research Institute ( email )

Shatin, N.T.
Hong Kong
China

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