The First-principles Study on the Occupation Behavior and the Ductility Mechanism of Zr in Ni-Ni3Al System with Lattice Misfit

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1.Institute of Molecular Engineering and Applied Chemistry, Anhui University of Technology, Ma'anshan 243002, China

2.Institute of Molecular Engineering and Applied Chemistry, Anhui University of Technology, Ma'anshan 243002, China

3.Institute of Molecular Engineering and Applied Chemistry, Anhui University of Technology, Ma'anshan 243002, China

4.Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China

5.Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China

6.College of Physics Science and Technology, Shenyang Normal University, Shenyang 110034, China

7.Institute of Molecular Engineering and Applied Chemistry, Anhui University of Technology, Ma'anshan 243002, China

1.Institute of Molecular Engineering and Applied Chemistry, Anhui University of Technology, Ma'anshan 243002, China

2.Institute of Molecular Engineering and Applied Chemistry, Anhui University of Technology, Ma'anshan 243002, China

3.Institute of Molecular Engineering and Applied Chemistry, Anhui University of Technology, Ma'anshan 243002, China

4.Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China

5.Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China

6.College of Physics Science and Technology, Shenyang Normal University, Shenyang 110034, China

7.Institute of Molecular Engineering and Applied Chemistry, Anhui University of Technology, Ma'anshan 243002, China

Keywords： Zirconium

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