Application of energy,electronic and interface bonding properties in highly reliable brazing joints between dissimilar materials  

作　　者：Xing-xing Wang Yuan-long Jiang Jia-shuo Chang Zhi-peng Yuan Jian-jun Shi Zi-cheng Ling Jun-yi Jiang Hong-gang Dong Fei Gao 

机构地区：[1]Jinhua Shuanghuan Brazing Alloys Co.,Ltd.,Jinhua,321000,Zhejiang,China [2]School of Materials Science and Engineering,Dalian University of Technology,Dalian,116024,Liaoning,China [3]Henan International Joint Laboratory of High-Efficiency Special Green Welding,North China University of Water Resources and Electric Power,Zhengzhou,450045,Henan,China [4]Luoyang Bearing Research Institute Co.,Ltd.,Luoyang,471000,Henan,China

出　　处：《Journal of Iron and Steel Research International》2024年第10期2344-2364,共21页钢铁研究学报（英文版）

基　　金：financially supported by National Natural Science Foundation of China(52475347,52071165);National Foreign Experts Program of Ministry of Science and Technology(G2023026003L);China Postdoctoral Fund(2023M740475);Henan Provincial Science and Technology Joint Fund(Industry)(225101610002);Program for Science&Technology Innovation Talents in Universities of Henan Province,China(22HASTIT026),International Science and Technology Cooperation Project of Henan Province(242102521057),China,the Program for the Top Young Talents of Henan Province,China and Frontier Exploration Project of Longmen Laboratory(LMQYTSKT016),China.

摘　　要：Brazing,an important welding and joining technology,can achieve precision joining of materials in advanced manufacturing.And the first principle calculation is a new material simulation method in high-throughput computing.It can calculate the interfacial structure,band structure,electronic structure,and other properties between dissimilar materials,predicting various properties.It plays an important role in assisting practical research and guiding experimental designs by predicting material properties.It can largely improve the quality of welded components and joining efficiency.The relevant theoretical foundation is reviewed,including the first principle and density functional theory.Exchange-correlation functional and pseudopotential plane wave approach was also introduced.Then,the latest research progress of the first principle in brazing was also summarized.The application of first principle calculation mainly includes formation energy,adsorption energy,surface energy,adhesion work,interfacial energy,interfacial contact angle,charge density differences,density of states,and mulliken population.The energy,mechanical,and electronic properties were discussed.Finally,the limitations and shortcomings of the research in the first principle calculation of brazed interface were pointed out.Future developmental directions were presented to provide reference and theoretical basis for realizing high-throughput calculations of brazed joint interfaces.

关 键 词：BRAZING First principle Joining interface Density functional theory Bonding property Dissimilar material 

分 类 号：TG456[金属学及工艺—焊接]