First-Principles Investigation of Thermodynamic Decomposition of Interfacial Oxides in Hot Compression Bonding

doi:10.1007/s11661-019-05531-3

IMR OpenIR

	First-Principles Investigation of Thermodynamic Decomposition of Interfacial Oxides in Hot Compression Bonding
	Zhang, Honglin 1,2,3; Chen, Xing-Qiu 3; Xu, Bin 1,3; Sun, Mingyue 1,3; Li, Dianzhong 3
通讯作者	Sun, Mingyue(mysun@imr.ac.cn)
	2019-11-11
发表期刊	METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
ISSN	1073-5623
卷号	51 期号:2 页码:13
摘要	The removal of interfacial oxides is essential in solid-state bonding to obtain high-performance joints. A recent work reported that the dissolution of MnCr2O4 at the hot compression bonding (HCB) interface of 316LN stainless steel improved the mechanical properties of joints. The evolution behaviors of interfacial oxides behind it should be further understood. In this study, the thermodynamic stability of MnCr2O4 and decomposition mechanisms of interfacial oxides in HCB was studied by combining the first-principles calculations with thermodynamics approach. The results obtained within GGA + U method were compared with experiments and in a good agreement with previous calculated results. The predicted stability region of MnCr2O4 was built by drawing the Mn-Cr-O phase diagram. The transition of its possibly coexisting binary oxides was understood in detail with respect to the environmental conditions. The interfacial oxides evolution in HCB process was proposed based on the variation of oxygen chemical potential. It predicted that MnCr2O4 forms during the heating period of HCB with the presence of binary oxides of Mn and Cr. All possible interfacial oxides decompose into metal phases and oxygen atoms when Delta mu O is below - 386.97 kJ/mol.
资助者	National Key Research and Development Program ; National Natural Science Foundation of China ; National Science Fund for Distinguished Young Scholars ; National Science and Technology Major Project of China ; Key Program of the Chinese Academy of Sciences ; Program of CAS Interdisciplinary Innovation Team
DOI	10.1007/s11661-019-05531-3
收录类别	SCI
语种	英语
资助项目	National Key Research and Development Program[2018YFA0702900] ; National Natural Science Foundation of China[U1508215] ; National Natural Science Foundation of China[51774265] ; National Science Fund for Distinguished Young Scholars[51725103] ; National Science and Technology Major Project of China[2019ZX06004010] ; Key Program of the Chinese Academy of Sciences[ZDRW-CN-2017-1] ; Program of CAS Interdisciplinary Innovation Team
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
WOS类目	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS记录号	WOS:000495708200009
出版者	SPRINGER
引用统计	被引频次：13[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/136043
专题	中国科学院金属研究所
通讯作者	Sun, Mingyue
作者单位	1.Chinese Acad Sci, Key Lab Nucl Mat & Safety Assessment, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China 3.Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Honglin,Chen, Xing-Qiu,Xu, Bin,et al. First-Principles Investigation of Thermodynamic Decomposition of Interfacial Oxides in Hot Compression Bonding[J]. METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE,2019,51(2):13.
APA	Zhang, Honglin,Chen, Xing-Qiu,Xu, Bin,Sun, Mingyue,&Li, Dianzhong.(2019).First-Principles Investigation of Thermodynamic Decomposition of Interfacial Oxides in Hot Compression Bonding.METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE,51(2),13.
MLA	Zhang, Honglin,et al."First-Principles Investigation of Thermodynamic Decomposition of Interfacial Oxides in Hot Compression Bonding".METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE 51.2(2019):13.