基于分子动力学模拟的Cu-Zr/Al复合材料的变形行为Deformation behaviour of Cu-Zr/Al composites based on molecular dynamics simulation
张飞扬,王文焱,谢敬佩,王爱琴,朱晓龙,崔云峰
摘要(Abstract):
采用分子动力学模拟方法研究了Zr含量对Cu/Al层状复合材料拉伸变形行为的影响,使用取代掺杂的方式用Zr取代Cu/Al层状复合材料中的Cu,取代比例分别为0.25%、0.45%、0.65%、0.85%和1.05%。结果表明:随着Zr取代比例的增加,Cu-Zr/Al复合材料的极限拉伸强度和最大拉伸应变呈现波动变化的趋势。当Zr的取代比例为0.85%时,复合材料的极限抗拉强度和最大拉伸应变最大,继续增加Zr的含量则会使极限拉伸强度和最大拉伸应变都减小。随着应变的增加,FCC结构、BCC结构以及HCP结构会发生相互转化,沿Y轴进行拉伸时,初始阶段相结构转变更加明显;随着Zr取代比例的增加,塑性变形过程中复合材料的晶型转变将会推迟进行,Shockley不全位错在塑性变形过程中起主导作用,且沿Y轴拉伸时的位错线长度大于沿Z轴拉伸时的位错线长度,同时由于Zr元素的加入,影响位错的扩散,导致复合材料的位错密度降低,从而提高其强度。
关键词(KeyWords): Cu-Zr/Al复合材料;分子动力学模拟;拉伸变形机制
基金项目(Foundation): 国家重点研发计划(2021YFB3701300)
作者(Author): 张飞扬,王文焱,谢敬佩,王爱琴,朱晓龙,崔云峰
DOI: 10.13289/j.issn.1009-6264.2023-0581
参考文献(References):
- [1] 周生刚,王涛,孙丽达.金属层状复合材料的研究现状[J].热加工工艺,2016,45(10):15-20.ZHOU Sheng-gang,WANG Tao,SUN Li-da.Current research status of metal laminate composites[J].Thermal Processing Technology,2016,45(10):15-20.
- [2] 张婷,许浩,李仲杰,等.层状金属复合材料的发展历程及现状[J].工程科学学报,2021,43(1):67-75.ZHANG Ting,XU Hao,LI Zhong-jie,et al.Development history and current status of laminated metal composites[J].Journal of Engineering Science,2021,43(1):67-75.
- [3] 刘国平,王渠东,蒋海燕.铜/铝双金属复合材料研究新进展[J].材料导报,2020,34(7):7115-7122.LIU Guo-ping,WANG Qu-dong,JIANG Hai-yan.New research progress on copper/aluminum bimetallic composites[J].Materials Reports,2020,34(7):7115-7122.
- [4] 夏兆辉,姚辉,孙谊媊,等.铜铝复合材料在电力电气行业的研究和应用[J].热加工工艺,2016,45(22):24-28.XIA Zhao-hui,YAO Hui,SUN Yi-qian,et al.Research and application of copper-aluminium composites in power electrical industry[J].Thermal Processing Technology,2016,45(22):24-28.
- [5] 严浩.铜/铝复合材料研究与应用进展[J].世界有色金属,2022(6):171-173.YAN Hao.Research and application progress of copper/aluminum composites[J].World Nonferrous Metals,2022(6):171-173.
- [6] 邓宏权,余学涛,李宾.铜铝复合材料的发展及应用[C]//2018年中国铝加工产业年度大会,佛山,2018:987-994.DENG Hong-quan,YU Xue-tao,LI Bin.Development and application of copper/aluminum composites[C]//China Aluminum Processing Industry Annual Conference,Foshan,2018:987-994.
- [7] 钱相飞,郭巧能,杨仕娥,等.Cu/Al 浇铸界面连接及拉伸性能的分子动力学模拟[J].中国有色金属学报,2020,30(12):2886-2900.QIAN Xiang-fei,GUO Qiao-neng,YANG Shi-e,et al.Molecular dynamics simulation of interfacial connection and tensile properties of Cu/Al casting[J].China Journal of Nonferrous Metals,2020,30(12):2886-2900.
- [8] 张岩,肖万伸.Cu/Al 爆炸冲击界面连接及拉伸与切削性能的分子动力学模拟[J].航空材料学报,2017,37(5):1-6.ZHANG Yan,XIAO Wan-shen.Molecular dynamics simulation of Cu/Al explosive impact interfacial connection and tensile and cutting properties[J].Journal of Aerospace Materials,2017,37(5):1-6.
- [9] Yang Z,Li M,Li Y,et al.Molecular dynamics simulation on torsion deformation of copper aluminum core-shell nanowires[J].Journal of Nanoparticle Research,2021,23:1-10.
- [10] Mojumder S,Rakib T,Motalab M.Atomistic study of hardening mechanism in Al-Cu nanostructure[J].Journal of Nanoparticle Research,2019,21:1-12.
- [11] Chen G,Song L,Gao Y.Molecular dynamics simulation of thermal conductivity in copper/aluminum layered composite films[J].Communications in Theoretical Physics,2019 62(2):196-202.
- [12] Zheng W,Fan M,Wang C,et al.Molecular dynamics simulation study on interfacial structure and strength of copper/aluminum layered composites[J].Acta Metallurgica Sinica,2021,57(3):329-339.
- [13] Liu C,Pei B,Wang X,et al.Molecular dynamics simulation of grain boundary segregation in copper/aluminum layered composites[J].Acta Physica Sinica,2021,70(5):056101.
- [14] Tong Y,Ye Y,Bai S,et al.Effects of zirconium addition on microstructure and ablation resistance of carbon fibre reinforced carbon and SiC ceramic matrix composite prepared by reactive melt infiltration[J].Advances in Applied Ceramics,2014,113(5):307-310.
- [15] Zhu J,Liu B,Wang C,et al.Microstructure and properties of Cu/Al laminated composites with Fe addition[J].Journal of Materials Science and Technology,2017,33(5):499-504.
- [16] Oku T,Oku T.Effects of zirconium addition on microstructures and thermal conductivities of carbon/copper composites[J].Materials Science and Technology,2021,37(13):1090-1095.
- [17] 张俊鹏,黄华贵,燕猛,等.脉冲电流对铜热浸镀铝界面扩散行为的影响机理分析[J].燕山大学学报,2020,44(4):347-352.ZHANG Jun-peng,HUANG Hua-gui,YAN Meng,et al.Effect mechanism analysis of pulse current on interface diffusion behavior of copper hot dip aluminum plating[J].Journal of Yanshan University,2020,44(4):347-352.
- [18] 刘新华,付华栋,何兴群,等.Cu-Al复合材料连铸直接成形数值模拟研究[J].金属学报,2018,54(3):470-484.LIU Xin-hua,FU Hua-dong,HE Xing-qun,et al.Numerical simulation analysis of continuous casting cladding forming for Cu-Al composites[J].Acta Metallurgica Sinica,2018,54(3):470-484.
- [19] Zepeda-Ruiz L A,Stukowski A,Oppelstrup T,et al.Probing the limits of metal plasticity with molecular dynamics simulations[J].Nature,2017,550(7677):492-495.
- [20] Song J,Srolovitz D J.Molecular dynamics investigation of patterning via cold welding[J].Journal of the Mechanics and Physics of Solids,2009,57(4):776-787.
- [21] Stukowski A.Structure identification methods for atomistic simulations of crystalline materials[J].Modelling and Simulation in Materials Science and Engineering,2012,20(4):045021.
- [22] Stukowski A.Visualization and analysis of atomistic simulation data with OVITO—The open visualization tool[J].Modelling & Simulation in Materials Science and Engineering,2010,18(1):015012.
- [23] Plimpton S.Fast parallel algorithms for short-range molecular dynamics[J].Journal of Computational Physics,1995,117(1):1-19.
- [24] Daw M S,Foiles S M,Baskes M I.The embedded-atommethod:a review of theory and applications[J].Materials Science Reports,1993,9(7/8):251-310.
- [25] Zhou X W,Johnson R A,Wadley H N G.Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers[J].Physical Review B,2004,69(14):144113.
- [26] Xu H,Liu C,Silberschmidt V V,et al.Behavior of aluminum oxide,intermetallics and voids in Cu-Al wire bonds[J].Acta Materialia,2011,59(14):5661-5673.
- [27] 张清东,李硕,张勃洋,等.金属轧制复合过程微观变形行为的分子动力学建模及研究[J].金属学报,2019,55(7):919-927.ZHANG Qing-dong,LI Shuo,ZHANG Bo-yang,et al.Molecular dynamics modelling and studying of microdeformation behavior in metal roll-bonding process[J].Acta Metallurgica Sinica,2019,55(7):919-927.
- [28] 明知非,宋海洋,安敏荣.基于分子动力学模拟的石墨烯镁基复合材料力学行为[J].物理学报,2022,71(8):266-274.MING Zhi-fei,SONG Hai-yang,AN Min-rong.Mechanical behaviour of graphene-magnesium matrix composites based on molecular dynamics simulation[J].Acta Physica Sinica,2022,71(8):266-274.
- [29] 安克滢,欧小琴,宋旼.锆铌合金拉伸变形的分子动力学模拟[J].中国有色金属学报,2022,32(10):2989-2998.AN Ke-ying,OU Xiao-qin,SONG Min.Molecular dynamics simulation of tensile deformation of zirconium-niobium alloys[J].Chinese Journal of Nonferrous Metals,2022,32(10):2989-2998.
- [30] 陈建军,丁雨田,马元俊,等.分子动力学模拟不同层错能单晶Ni及其合金拉伸变形行为[J].稀有金属材料与工程,2023,52(9):3186-3197.CHEN Jian-jun,DING Yu-tian,MA Yuan-jun,et al.Molecular dynamics simulation of tensile deformation behaviour of single-crystal Ni and its alloys with different layer dislocation energies[J].Rare Metal Materials and Engineering,2023,52(9):3186-3197.
- [31] Chu D,Zhang J Y,Yao J J.Cu-Al interfacial compounds and formation mechanism of copper cladding aluminum composites[J].Transactions of Nonferrous Metals Society of China,2017,27(11):2521-2528.
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