Ao Zhang, Jian Zhang, Mingjun Zhang, Junyi Liu, Ping Peng
{"title":"添加ceo2的Ni-Cr填充合金钎焊金刚石的界面行为及机理:第一性原理与实验相结合的研究","authors":"Ao Zhang, Jian Zhang, Mingjun Zhang, Junyi Liu, Ping Peng","doi":"10.1108/ssmt-03-2023-0016","DOIUrl":null,"url":null,"abstract":"\nPurpose\nThis paper aims to investigate the effect and mechanism of O atom single doping, Ce and O atoms co-doping on the interfacial microscopic behavior of brazed Ni-Cr/diamond.\n\n\nDesign/methodology/approach\nUsing first-principles calculations, the embedding energy, work of separation, interfacial energy and electronic structures of Ni-Cr-O/diamond and Ni-Cr-O-Ce/diamond interface models were calculated. Then, the effect of Ce and O co-doping was experimentally verified through brazed diamond with CeO2-added Ni-Cr filler alloy.\n\n\nFindings\nThe results show that O single-doping reduces the interfacial bonding strength between Ni-Cr filler alloy and diamond but enhances its interfacial stability to some extent. However, the Ce and O co-doping simultaneously enhances the interfacial bonding strength and stability between Ni-Cr filler alloy and diamond. The in-situ formed Ce-O oxide at interface impedes the direct contact between diamond and Ni-Cr filler alloy, which weakens the catalytic effect of Ni element on diamond graphitization. It is experimentally found that the fine rod-shaped Cr3C2 and Cr7C3 carbides are generated on diamond surface brazed with CeO2-added Ni-Cr filler alloy. After grinding, the brazed diamond grits, brazed with CeO2-added Ni-Cr filler alloy, present few fracture and the percentage of intact diamond reaches 67.8%. Compared to pure Ni-Cr filler alloy, the brazed diamond with CeO2-added Ni-Cr filler alloy exhibit the better wear resistance and the slighter thermal damage.\n\n\nOriginality/value\nUsing first-principles calculations, the effect of Ce and O atoms co-doping on the brazed diamond with Ni-Cr filler alloy is investigated, and the calculation results are verified experimentally. Through the first-principles calculations, the interface behavior and reaction mechanism between diamond and filler alloy can be well disclosed, and the composition of filler alloy can be optimized, which will be beneficial for synergistically realizing the enhanced interface bonding and reduced thermal damage of brazed diamond.\n","PeriodicalId":382949,"journal":{"name":"Soldering & Surface Mount Technology","volume":"19 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2023-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Interfacial behavior and mechanism of brazed diamond with CeO2-added Ni-Cr filler alloy: a combined first-principles and experimental study\",\"authors\":\"Ao Zhang, Jian Zhang, Mingjun Zhang, Junyi Liu, Ping Peng\",\"doi\":\"10.1108/ssmt-03-2023-0016\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\nPurpose\\nThis paper aims to investigate the effect and mechanism of O atom single doping, Ce and O atoms co-doping on the interfacial microscopic behavior of brazed Ni-Cr/diamond.\\n\\n\\nDesign/methodology/approach\\nUsing first-principles calculations, the embedding energy, work of separation, interfacial energy and electronic structures of Ni-Cr-O/diamond and Ni-Cr-O-Ce/diamond interface models were calculated. Then, the effect of Ce and O co-doping was experimentally verified through brazed diamond with CeO2-added Ni-Cr filler alloy.\\n\\n\\nFindings\\nThe results show that O single-doping reduces the interfacial bonding strength between Ni-Cr filler alloy and diamond but enhances its interfacial stability to some extent. However, the Ce and O co-doping simultaneously enhances the interfacial bonding strength and stability between Ni-Cr filler alloy and diamond. The in-situ formed Ce-O oxide at interface impedes the direct contact between diamond and Ni-Cr filler alloy, which weakens the catalytic effect of Ni element on diamond graphitization. It is experimentally found that the fine rod-shaped Cr3C2 and Cr7C3 carbides are generated on diamond surface brazed with CeO2-added Ni-Cr filler alloy. After grinding, the brazed diamond grits, brazed with CeO2-added Ni-Cr filler alloy, present few fracture and the percentage of intact diamond reaches 67.8%. Compared to pure Ni-Cr filler alloy, the brazed diamond with CeO2-added Ni-Cr filler alloy exhibit the better wear resistance and the slighter thermal damage.\\n\\n\\nOriginality/value\\nUsing first-principles calculations, the effect of Ce and O atoms co-doping on the brazed diamond with Ni-Cr filler alloy is investigated, and the calculation results are verified experimentally. Through the first-principles calculations, the interface behavior and reaction mechanism between diamond and filler alloy can be well disclosed, and the composition of filler alloy can be optimized, which will be beneficial for synergistically realizing the enhanced interface bonding and reduced thermal damage of brazed diamond.\\n\",\"PeriodicalId\":382949,\"journal\":{\"name\":\"Soldering & Surface Mount Technology\",\"volume\":\"19 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-06-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Soldering & Surface Mount Technology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1108/ssmt-03-2023-0016\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Soldering & Surface Mount Technology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1108/ssmt-03-2023-0016","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
目的研究O原子单掺杂、Ce和O原子共掺杂对钎焊Ni-Cr/金刚石界面微观行为的影响及其机理。采用第一性原理计算方法,计算了Ni-Cr-O/金刚石和Ni-Cr-O- ce /金刚石界面模型的嵌入能、分离功、界面能和电子结构。然后,通过添加ceo2的Ni-Cr填充合金钎焊金刚石,实验验证了Ce和O共掺杂的效果。结果表明:O单掺杂降低了Ni-Cr填充合金与金刚石的界面结合强度,但在一定程度上提高了其界面稳定性;Ce和O共掺杂同时增强了Ni-Cr填充合金与金刚石之间的界面结合强度和稳定性。界面处原位形成的Ce-O氧化物阻碍了金刚石与Ni- cr填充合金的直接接触,削弱了Ni元素对金刚石石墨化的催化作用。实验发现,添加了ceo2的Ni-Cr钎料合金在金刚石表面钎焊形成了细棒状的Cr3C2和Cr7C3碳化物。研磨后,添加了ceo2的Ni-Cr钎料的钎焊金刚石磨粒断口少,完整金刚石率达67.8%。与纯Ni-Cr钎料合金相比,添加ceo2的Ni-Cr钎料合金钎焊金刚石具有更好的耐磨性和较小的热损伤。采用第一性原理计算方法,研究了Ce和O原子共掺杂对Ni-Cr填充合金钎焊金刚石的影响,并对计算结果进行了实验验证。通过第一性原理计算,可以很好地揭示金刚石与钎料合金之间的界面行为和反应机理,优化钎料合金的组成,有利于协同实现钎焊金刚石增强界面结合和减少热损伤。
Interfacial behavior and mechanism of brazed diamond with CeO2-added Ni-Cr filler alloy: a combined first-principles and experimental study
Purpose
This paper aims to investigate the effect and mechanism of O atom single doping, Ce and O atoms co-doping on the interfacial microscopic behavior of brazed Ni-Cr/diamond.
Design/methodology/approach
Using first-principles calculations, the embedding energy, work of separation, interfacial energy and electronic structures of Ni-Cr-O/diamond and Ni-Cr-O-Ce/diamond interface models were calculated. Then, the effect of Ce and O co-doping was experimentally verified through brazed diamond with CeO2-added Ni-Cr filler alloy.
Findings
The results show that O single-doping reduces the interfacial bonding strength between Ni-Cr filler alloy and diamond but enhances its interfacial stability to some extent. However, the Ce and O co-doping simultaneously enhances the interfacial bonding strength and stability between Ni-Cr filler alloy and diamond. The in-situ formed Ce-O oxide at interface impedes the direct contact between diamond and Ni-Cr filler alloy, which weakens the catalytic effect of Ni element on diamond graphitization. It is experimentally found that the fine rod-shaped Cr3C2 and Cr7C3 carbides are generated on diamond surface brazed with CeO2-added Ni-Cr filler alloy. After grinding, the brazed diamond grits, brazed with CeO2-added Ni-Cr filler alloy, present few fracture and the percentage of intact diamond reaches 67.8%. Compared to pure Ni-Cr filler alloy, the brazed diamond with CeO2-added Ni-Cr filler alloy exhibit the better wear resistance and the slighter thermal damage.
Originality/value
Using first-principles calculations, the effect of Ce and O atoms co-doping on the brazed diamond with Ni-Cr filler alloy is investigated, and the calculation results are verified experimentally. Through the first-principles calculations, the interface behavior and reaction mechanism between diamond and filler alloy can be well disclosed, and the composition of filler alloy can be optimized, which will be beneficial for synergistically realizing the enhanced interface bonding and reduced thermal damage of brazed diamond.