Materials Reports 2022, Vol. 36 Issue (Z1): 22030197-6 |
INORGANIC MATERIALS AND CERAMIC MATRIX COMPOSITES |
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Effect of Crystal Orientation on the Plastic Deformation Behavior of B2-CuZr Nanocrystal/Cu50Zr50 Amorphous Composites by Molecular Dynamics Simulation |
SONG Xiaodong, TAO Pingjun
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School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006, China |
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Abstract Molecular dynamics (MD) simulations were used to study the effect of the crystallographic orientation of B2-CuZr nanocrystals on the mechanical properties and plastic deformation behavior of B2-CuZr nanocrystal/Cu50Zr50 amorphous composites under axial stretching. In the simulations, the EAM potential function was used to express the interatomic interactions. The calculation results show that the B2-CuZr nanocrystal/Cu50Zr50 amorphous composites with crystallographic orientation [110] can form interlocking shear bands under the load, and the yield strength is improved, showing a good plastic flow; while the plasticity of the composites with crystallographic orientation [100] and [111] does not get improved significantly, the composites with crystallographic orientation [111] have the highest yield strength and the largest elastic modulus; the composites with crystallographic orientation [100] have the smallest elastic modulus, which is comparable to Cu50Zr50 amorphous. The elastic modulus of nanocrystalline/amorphous composites with a crystallographic orientation of [110] lies between the above two and presents overall more excellent overall mechanical properties.
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Published: 05 June 2022
Online: 2022-06-08
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Fund:Natural Science Foundation of Guangdong Province (2015A030313488). |
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