含孔洞Cu64Zr36及Cu/Cu64Zr36复合材料拉伸变形的分子动力学研究

doi:10.11896/cldb.23040235

材料导报

2024, Vol. 38

Issue (15): 23040235-6 https://doi.org/10.11896/cldb.23040235

金属与金属基复合材料

含孔洞Cu₆₄Zr₃₆及Cu/Cu₆₄Zr₃₆复合材料拉伸变形的分子动力学研究

李泽政, 申宏飞, 吴文平^*

武汉大学土木建筑工程学院工程力学系,武汉 430072

Molecular Dynamics Study of Tensile Deformation Behaviors of Cu₆₄Zr₃₆ and Cu/Cu₆₄Zr₃₆ Composite with a Pre-existing Void

LI Zezheng, SHEN Hongfei, WU Wenping^*

Department of Engineering Mechanics, School of Civil Engineering, Wuhan University, Wuhan 430072, China

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摘要本工作采用分子动力学模拟研究了含孔洞Cu₆₄Zr₃₆金属玻璃和Cu/Cu₆₄Zr₃₆晶体/非晶复合材料的拉伸变形行为。结果表明:Cu₆₄Zr₃₆金属玻璃在加载过程中由孔洞引起的应变集中导致剪切转变区(STZ)被激活并诱发剪切带的形成,而 Cu/Cu₆₄Zr₃₆复合材料通过晶体相中的位错滑移有效避免了灾难性剪切局部化,阻碍了剪切带的扩展。应变局部化程度出现台阶式的跳跃主要由位错的成核和发射引起,而应变局部化程度的缓慢增加与STZ的激活有关,一旦剪切带形成会导致应变局部化程度的快速增加。孔洞的存在改变了剪切应变和非仿射平方位移的分布,原子剪切应变和非仿射平方位移最小值D²_min的最大值总是分布在孔洞周围,使其成为最有可能位错成核、 STZ激活并诱发剪切带形成的位点。大量的位错运动和均匀的STZ激活是提高复合材料整体塑性的主要原因,晶体相中位错密度的变化与非晶相中的剪切带活动密切相关。当剪切带扩展受阻,只出现均匀的STZ激活,位错密度基本保持不变,应力累积。一旦STZ局部化,重新诱发剪切带的扩展,位错密度增加和应力释放,这也是Cu/Cu₆₄Zr₃₆复合材料应力波动的主要原因。

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关键词: Cu/Cu₆₄Zr₃₆复合材料剪切带剪切转变区位错分子动力学模拟

Abstract: In this work, the tensile deformation behaviors of Cu₆₄Zr₃₆ metallic glass and Cu/Cu₆₄Zr₃₆ crystalline/amorphous composite with a pre-existing void are investigated by molecular dynamics (MD) simulation. The results show that the strain concentration caused by void activates the shear transition zone (STZ) and induces the shear band formation of Cu₆₄Zr₃₆ metallic glass. However, the crystalline/amorphous composite effectively avoids catastrophic localization and hinders shear band propagation by dislocation slip in the Cu crystalline phase. A stepwise increase in the degree of the strain localization is mainly related to the nucleation and emission of dislocations, while the slow increase in the degree of the strain localization is related to the STZ activation, and once the shear band is formed, it will lead to a rapid increase in the degree of the strain localization. The existence of voids changes the distribution of shear strain:the peak shear strain is distributed around the void, where it is most likely to activate dislocation movement, STZ and embryonic shear band formation. Numerous dislocation movements and homogeneous STZ activation become the main reason for enhancing the global plasticity of the composites. The variation in the dislocation density in the crystalline phase closely correlates with the shear band activity in the amorphous phase. The dislocation density tends to stay constant and stress accumulation when the homogeneous STZ is activated and shear band is blocked. Once the STZ localization and shear band reactivates, dislocation density increases and stress releases, which are also the main reason for stress fluctuations in the crystalline/amorphous composites.

Key words: Cu/Cu₆₄Zr₃₆ composite shear band shear transformation zone (STZ) dislocation molecular dynamics simulation

出版日期: 2024-08-10 发布日期: 2024-08-29

ZTFLH:

O344

基金资助: 国家自然科学基金(12172259;11772236)

通讯作者: * 吴文平,武汉大学土木建筑工程学院工程力学系教授、博士研究生导师。2010年北京交通大学工程力学系固体力学专业博士毕业,2012年德国伍珀塔尔大学机械工程专业博士后出站到武汉大学工作至今。目前主要从事高温合金、金属玻璃及其复合材料断裂损伤方面的研究工作。发表论文80余篇,包括International Journal of Plasticity、International Journal of Fatigue、International Journal of Solids and Structures、Mechanics of Materials、Theoretical and Applied Fracture Mechanics、Journal of Non-Crystalline Solids等。wpwu@whu.edu.cn

作者简介: 李泽政,2020年6月于武汉大学获得工学学士学位。现为武汉大学土木建筑工程学院工程力学系硕士研究生,在吴文平教授的指导下进行研究。目前主要研究领域为晶体/非晶复合材料的断裂力学性能研究。

引用本文:

李泽政, 申宏飞, 吴文平. 含孔洞Cu₆₄Zr₃₆及Cu/Cu₆₄Zr₃₆复合材料拉伸变形的分子动力学研究[J]. 材料导报, 2024, 38(15): 23040235-6.
LI Zezheng, SHEN Hongfei, WU Wenping. Molecular Dynamics Study of Tensile Deformation Behaviors of Cu₆₄Zr₃₆ and Cu/Cu₆₄Zr₃₆ Composite with a Pre-existing Void. Materials Reports, 2024, 38(15): 23040235-6.

链接本文:

http://www.mater-rep.com/CN/10.11896/cldb.23040235 或 http://www.mater-rep.com/CN/Y2024/V38/I15/23040235

1 Schuh C A, Hufnagel T C, Ramamurty U. Acta Materialia, 2007, 55, 4067.
2 Gong X Y, Chen B, Wu W P. Chinese Journal of Solid Mechanics, 2020, 41(3), 231 (in Chinese).
巩晓雨, 陈斌, 吴文平. 固体力学学报, 2020, 41(3), 231.
3 Qu R T, Wang X D, Wu S J, et al. Acta Metallurgica Sinica, 2021, 57(4), 453 (in Chinese).
屈瑞涛, 王晓地, 吴少杰, 等. 金属学报, 2021, 57(4), 453.
4 Wang Y, Li J, Hamza A V, et al. Proceedings of the National Academy of Sciences of the United States of America, 2007, 104, 11155.
5 Jian W R, Wang L, Li B, et al. Nanotechnology, 2016, 27, 175701.
6 Sha Z D, Branicio P S, Lee H P, et al. International Journal of Plasticity, 2017, 90, 231.
7 Sha Z D, Teng Y, Liu Z S, et al. Chinese Journal of Solid Mechanics, 2018, 39(4), 333 (in Chinese).
沙振东, 腾云, 刘子顺, 等. 固体力学学报, 2018, 39(4), 333.
8 Sun P, Peng C, Cheng Y, et al. Computational Materials Science, 2019, 163, 290.
9 Tran A S. Journal of Non-Crystalline Solids, 2021, 559, 120685.
10 Nieh T G, Wadsworth J. Intermetallics, 2008, 16, 1156.
11 Tran A S. Physica Scripta, 2021, 96, 065402.
12 Hyde A, He J, Cui X, et al. Composites Part B:Engineering, 2020, 187, 107844.
13 Wu W P, Peng Z F, Şopu D, et al. Journal of Non-Crystalline Solids, 2022, 586, 121556.
14 Cui Y, Shibutani Y, Li S, et al. Journal of Alloys and Compounds, 2017, 693, 285.
15 Song H Y, Xu J J, Zhang Y G, et al. Materials & Design, 2017, 127, 173.
16 Luan Y W, Li C H, Han X J, et al. Molecular Simulation, 2017, 43, 1116.
17 Vardanyan V H, Avila K E, Küchemann S, et al. Computational Materials Science, 2021, 192, 110379.
18 Li J, Chen H, Feng H, et al. Journal of Materials Science & Technology, 2020, 54, 14.
19 Su M, Deng Q, An M, et al. Journal of Alloys and Compounds, 2021, 868, 159282.
20 Avila K E, Vardanyan V H, Küchemann S, et al. Applied Surface Science, 2021, 551, 149285.
21 Abdelmawla A, Phan T, Xiong L, et al. Journal of Materials Research, 2021, 36, 2816.
22 Plimpton S J. Journal of Computational Physics, 1995, 117, 1.
23 Mendelev M I, Sordelet D J, Kramer M J. Journal of Applied Physics, 2007, 102, 043501.
24 Wu W P, Şopu D, Eckert J. Materials, 2021, 14, 2756.
25 Stukowski A, Bulatov V V, Arsenlis A. Modelling and Simulation in Materials Science and Engineering, 2012, 20, 085007.
26 Honeycutt J D, Andersen H C. Journal of Physical Chemistry, 1987, 91, 4950.
27 Stukowski A. Modelling and Simulation in Materials Science and Engineering, 2010, 18, 015012.
28 Argon A S. Acta Metallurgica, 1979, 27, 47.
29 Falk M L, Langer J S. Physical Review E, 1998, 57, 7192.
30 WuW P, Şopu D, Yuan X, et al. Journal of Non-Crystalline Solids, 2021, 559, 120676.
31 Cheng Y Q, Cao A J, Ma E. Acta Materialia, 2009, 57, 3253.

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