First-principles study on the interface properties of Pt25Rh/TaC
Platinum-rhodium(PtRh)alloy has excellent high-temperature mechanic properties and is one of the most promising materials for space engine thruster nozzles.The research has shown that the service life of space vehicles can effectively be extended by the high-temperature properties of PtRh alloys.In this study,the interfacial properties and bonding mechanism of TaC thermal barrier coating on the Pt25Rh high-temperature al-loy were investigated by using a first-principles approach based on Materials Studio software.The results show that the thermal expansion coefficient of TaC is less different from that of Pt25Rh,and it has better interface matching and bonding force than similar thermal barrier ceramic coatings.In addition,the most stable bonding position from TaC to Pt25Rh alloy is Pt25Rh(111)/TaC(111)c at the hole position,and the interfacial adhesion work is 6.202 J/m2.This study can provide theoretical guidance for the development of PtRh high-temperature alloy.
High temperature alloysThermal barrier coatingFirst-principlesInterface structureCombina-tion mechanism
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维普
