期刊文献+

Interface structure of α-Mg/14H-LPSO:First-principles prediction and experimental study

原文传递
导出
摘要 The interfacial structure of the α-Mg/14H-LPSO phase in rare earth-including magnesium alloy was investigated via high-angle annular dark-field scanning transmission electron microscopy(HAADFSTEM) imaging and first-principles calculations of density-functional theory.Eleven possible interfacial models were constructed according to the different terminations of the LPSO phase,and the corresponding interfacial energies were calculated,from which the four most stable structures(Terl-MgY-hollow,Ter2-Zn-hollow,Ter3-MgYII-hollow and Ter4-Mg-bridge) were obtained.The interfacial phase diagrams related to the Y chemical potentials were obtained from the calculations,and the most stable interfacial structure was evaluated.Terl-MgY-hollow and Ter2-Zn-hollow have the lowest interfacial energies in the range of-0.7 eV <Δμγ<-0.6 eV,where fluctuating change of state is the minimized and the interface is the most stable.The separation work of the two models was calculated to predict the bonding strength of the structures at both ends of the interface.The calculation results show that the maximum interfacial separation work is 1.45 J/m^(2) for the interface model of α-Mg and 14H-LPSO phase structure with Ter2-Zn-hollow termination.
出处 《Journal of Rare Earths》 SCIE EI CAS CSCD 2024年第9期1792-1799,I0006,共9页 稀土学报(英文版)
基金 Project supported by the Key Research and Development Program of Heilongjiang (2022ZX01A01) Natural Science Foundation of Heilongjiang Province (LH2022E080)。
  • 相关文献

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部