电沉积层中Cr-O-C界面影响Cu/Ni复合体脱模的分子动力学模拟  

Molecular dynamics simulation for effect of Cr-O-C interface in electrodeposition layers on demoulding of Cu/Ni complexes

作　　者：杨光[1] 陈菊[1] 张玉周 王沁峰[1] 田振岐 胡正晨 YANG Guang;CHEN Ju;ZHANG Yu-zhou;WANG Qin-feng;TIAN Zhen-qi;HU Zheng-chen(College of Marine Equipment and Mechanical Engineering,Jimei University,Xiamen 361021,China)

机构地区：[1]集美大学海洋装备与机械工程学院,厦门361021

出　　处：《中国有色金属学报》2023年第2期565-576,共12页The Chinese Journal of Nonferrous Metals

基　　金：国家自然科学基金资助项目(52175407)。

摘　　要：由于电沉积中基底和镀层存在结合力,脱模过程中,微观撕裂不可避免,因此,镀层的最终表面质量受界面结合力的影响。而Cr离散晶核形成的Cr-O-C界面可以起到很好的辅助脱模作用。由于微观撕裂难以原位观察,撕裂过程和Cr离散晶核的辅助脱模机理都尚未完全了解。为此,本文利用分子动力学方法对比研究了包含Cr-O-C界面的Cu/Ni复合体和Cu/Ni双金属的拉伸变形。结果表明:Cu/Ni双金属界面对于变形过程中位错传播具有阻碍作用,使材料抵抗塑性变形的能力得到提高。Cr-O-C界面弱化了Cu/Ni复合体强度,最大应力下降达80.68%。Cu/Ni双金属的断口在Cu基体上,断裂之前Cu基体发生明显的塑性变形。Cr-O-C界面减少了Cu/Ni界面的失配位错数量和键合密度,降低了界面强度,Cu/Cr-O-C/Ni复合体断口在界面处,断裂之前没有明显的塑性变形。Microscopic tear is inevitable during the demoulding process due to the bonding force between the substrate and the coating in electrodeposition.Therefore,the final surface quality of the electrodeposition layers is affected by the binding force.The Cr-O-C interface formed by the Cr discrete crystal nuclei can play a good role in assisting demoulding.Neither the tearing process nor the mechanism of assisted demoulding of Cr discrete crystal nuclei is fully understood due to the difficulty of in-situ observation of microscopic tearing.In this paper,the tensile deformations of the Cu/Ni complex containing Cr-O-C interface and Cu/Ni bimetal were compared by molecular dynamics simulation.The results show that the Cu/Ni bimetallic interface has a hindering effect on dislocation propagation during the deformation process,which improves the material’s ability to resist plastic deformation.The Cr-O-C interface weakens the strength of the Cu/Ni complex,and the maximum stress decreases by 80.68%.The fracture of Cu/Ni bimetal is on the Cu substrate,and obvious plastic deformation occurs before fracture.The Cr-O-C interface reduces the number of bond density,mismatch dislocations,and the interface strength of the Cu/Ni complex.The fracture of the Cu/Cr-O-C/Ni complex is at the interface,and there is no obvious plastic deformation before fracture.

关 键 词：力学性能 位错 弱连接 变形 分子动力学 

分 类 号：TG113.25[金属学及工艺—物理冶金]