Atomic insight into residual stress and microstructure evolution of amorphous carbon heterostructured films induced by multi‑stage phase transformation of high‑entropy alloys  

作　　者：Xinyue Niu Yefei Zhou Tao Zhang Ming Ding Xiaolei Xing Qingxiang Yang Dianlong Wang Jianwei Xiao Zhijun Shi 

机构地区：[1]School of Mechanical Engineering,Yanshan University,Qinhuangdao 066004,China [2]State Key Laboratory of Metastable Materials Science&Technology,Yanshan University,Qinhuangdao 066004,China [3]Shenyang National Laboratory for Materials Science,Institute of Metal Research,Chinese Academy of Sciences,72 Wenhua Road,Shenyang 110016,China

出　　处：《Surface Science and Technology》2024年第1期297-309,共13页表面科学技术(英文)

基　　金：supported by the National Natural Science Foundation of China(Grant Nos.52205205,52375208);the Hebei Natural Science Foundation(Grant No.E2024203093 and E2020203022);the S&T Program of Hebei(Grant No.236Z1809G);Aeronautical Science Foundation of China(Grant No.201945099002).

摘　　要：The residual stress has significant effects on the microstructure and service performance of films.With good toughness and low stacking fault energy,high-entropy alloy(HEA)can act as dopant to reduce the residual stress of films via self-plastic deformation.Nevertheless,the microscopic mechanism buried deep under the surface is difficult to study by experiments and the dynamic evolution cannot be observed,which the biggest obstacle to investigate the corresponding solutions is.In this paper,diamond-like carbon(DLC)models with different CoCrFeNi HEA doping ratios(1:2,1:4,1:6,and 1:8)were designed by molecular dynamics method.The effects of CoCrFeNi doping percentage on the structure and residual stress of this heterostructured films were investigated,and the mechanism of residual stress reduction was revealed.The results show that the phase transformation of HEA causes stress fluctuations in DLC films.The stress fluctuations at different orientations of the heterostructured films is gradually shifted to the right with the increase of HEA percentage,and the difference in stress level between the initial and final strain is significantly decreased.Meanwhile,when the doping ratio is 1:2,the compressive stresses inside the films is lower and the generation of stacking faults is later.With the increase of the HEA doping ratio,the proportion of C atoms with sp3 and sp2 hybridization structures is decreased significantly,and the percentages of the distorted C–C bond length and distorted C–C-C bond angle are also reduced.Therefore,HEA doping affects the number of hybrid atoms and the distribution of bond characteristics in DLC films,which leads to the decrease of the residual stress of the heterostructured films.

关 键 词：Diamond-like carbon film High-entropy alloy doping Residual stress Microstructure evolution Molecular dynamics simulation Heterostructured films 

分 类 号：TG1[金属学及工艺—金属学]