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材料导报  2022, Vol. 36 Issue (Z1): 22030197-6    
  无机非金属及其复合材料 |
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
宋晓东, 陶平均
广东工业大学材料与能源学院,广州 510006
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
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摘要 采用分子动力学(MD)模拟研究在轴向拉伸下,B2-CuZr纳米晶的晶向对B2-CuZr纳米晶/Cu50Zr50非晶复合材料的力学性能和塑性变形行为的影响。在模拟中,采用EAM势函数表述原子间的相互作用。计算结果表明,晶向为[110]的B2-CuZr纳米晶/Cu50Zr50非晶复合材料在载荷作用下能够形成相互交错的剪切带,屈服强度得到提高,呈现出很好的塑性流动;而晶向为[100]和[111]的复合材料的塑性没有得到较大的改善,但是晶向为[111]的复合材料的屈服强度最高,弹性模量最大。晶向为[100]的复合材料的弹性模量最小,与Cu50Zr50非晶相差无几。晶向为[110]的纳米晶/非晶复合材料的弹性模量位于上述二者之间,整体呈现出更加优异的综合力学性能。
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宋晓东
陶平均
关键词:  非晶合金  纳米复合材料  剪切带  分子动力学  塑性变形    
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.
Key words:  amorphous alloys    nanocomposites    shear band    molecular dynamics    plastic deformation
出版日期:  2022-06-05      发布日期:  2022-06-08
ZTFLH:  O756  
基金资助: 广东省自然科学基金(2015A030313488)
通讯作者:  pjtao@gdut.edu.cn   
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.
链接本文:  
http://www.mater-rep.com/CN/  或          http://www.mater-rep.com/CN/Y2022/V36/IZ1/22030197
1 Chen K, Zhan L, Xu Y, et al. Journal of Alloys and Compounds, 2022, 903, 163985.
2 蒋敏强,高洋.金属学报, 2021, 57(4), 14.
3 Barboza A M, Bastos I N, Aliaga L C R. Revista Facultad de Ingenieri A,2020,103,20.
4 张舒研,高洋洋,张志彬,等.材料工程, 2021, 49(1), 11.
5 Wang C, Shuai Y, Yang Y, et al. Journal of Alloys and Compounds, 2022, 897, 163247.
6 乔吉超,张浪渟,童钰,等.力学进展, 2022, 52(1),117.
7 刘天豪,郭胜锋.材料工程, 2020, 48(11), 12.
8 Wang Q, Liu C T, Yang Y, et al. Physical Review Letters, 2011, 106(21), 215505.
9 Abdelmawla A, Phan T, Xiong L, et al. Journal of Materials Research, 2021(16), 2816.
10 Santos K, Giovanis D G, Kontolati K, et al. Physical Review Letters, 2021,28,13805.
11 Teng J, Deng H, Xia Y, et al. Energy & Fuels, 2021,35(7),5879.
12 Jiang S S, Gan K F, Huang Y J, et al. Science China Technological Sciences, 2020,63(8),1560.
13 Jiang S S, Huang Y J, Wu F F, et al. Journal of Non-Crystalline Solids, 2018,483,94.
14 Behboud A B, Motallebzadeh A, Zerin S. Journal of Alloys and Compounds. 2022, 901, 163578.
15 Fan Y, You H, Tian X, et al. Physical Review Letters. 2022,2202,06578.
16 Hao Y, Yang H, Zhang H, et al. Fibers & Polymers, 2018, 19(1), 1.
17 高林林. Zr基非晶合金—金属网三明治结构的热塑性成形. 硕士学位论文,华中科技大学, 2019.
18 Tran A S. Journal of Non-Crystalline Solids, 2021, 559(1), 120685.
19 William Y W, Bin G, Lin D , et al. Journal of Materials Science & Technology, 2020, 53(18), 194.
20 李卫卫,宋海洋,安敏荣,等.复合材料学报, 2021, 38(12), 8.
21 Chen S S, Yin J, Zou J H, et al. Journal of Materials Research, 2021,36,1367.
22 Hua D, Wang W, Luo D, et al. Physical Review Letters, 2022,10(105),226.
23 Niu Y, Zhao D, Zhu B, et al. Nanotechnology, 2022, 33(10), 105705.
24 Plimpton S. Nanotechnology,1993,8,1039.
25 Alexander S. Modelling and Simulation in Materials Science and Enginee-ring,2010, 18(1), 2154.
26 Feng S D, Qi L, Wang L M, et al. Acta Materialia, 2015, 95, 236.
27 Kim H K, Lee M, Lee K R, et al. Acta Materialia, 2013, 61(17), 6597.
28 Sopu D, Albe K, Eckert J. Acta Materialia, 2018, 159, 344.
29 Feng S D, Li L, Chan K C, et al. Journal of Alloys and Compounds, 2019, 770, 896.
30 曾利娟,黄福祥,周露,等.重庆理工大学学报, 2021, 35(10), 9.
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