Effect of Crystal Orientation on the Plastic Deformation Behavior of B2-CuZr Nanocrystal/Cu50Zr50 Amorphous Composites by Molecular Dynamics Simulation
SONG Xiaodong, TAO Pingjun
School of Materials and Energy, Guangdong University of Technology, Guangzhou 510006, China
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.
作者简介: 宋晓东2018年7月于重庆理工大学获得工学学士学位。现为广东工业大学材料与能源学院硕士研究生,在陶平均教授的指导下进行研究。目前主要研究领域为非晶基复合材料的塑性变形行为。 陶平均,广东工业大学材料与能源学院教授、硕士研究生导师。2002年大连交通大学材料系焊接专业本科毕业,2004年9月至2009年6月,广东工业大学材料学专业硕博连读,毕业后留校工作。目前主要从事新型纳米与非晶功能材料、先进金属材料等方面的研究工作。发表论文50余篇,包括Metals、Material Letters、Material Focus、International Journal of Hydrogen Energy等。
引用本文:
宋晓东, 陶平均. 分子动力学模拟晶向对B2-CuZr纳米晶/Cu50Zr50非晶复合材料塑性变形行为的影响[J]. 材料导报, 2022, 36(Z1): 22030197-6.
SONG Xiaodong, TAO Pingjun. Effect of Crystal Orientation on the Plastic Deformation Behavior of B2-CuZr Nanocrystal/Cu50Zr50 Amorphous Composites by Molecular Dynamics Simulation. Materials Reports, 2022, 36(Z1): 22030197-6.
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