首页> 外文会议>3rd International Conference on High Temperature Capillarity HTC-2000, 3rd, Nov 19-22, 2000, Kurashiki, Japan >INFLUENCE OF INTERFACIAL EXCESS OXYGEN ON THE ADHESION ENERGETICS AT METAL/OXIDE HETEROPHASE BOUNDARIES
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INFLUENCE OF INTERFACIAL EXCESS OXYGEN ON THE ADHESION ENERGETICS AT METAL/OXIDE HETEROPHASE BOUNDARIES

机译:界面过量氧对金属/氧化物杂相边界上粘附能的影响

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摘要

For a model heterophase boundary between Ag and spinel, MgAl_2O_4, the influence of excess oxygen on the interfacial bonding and adhesion is studied theoretically by means of ab-initio electronic-structure calculations based on the local density functional theory. Investigated are both the weakly adhesive Ag(001)/MgAl_2O_4(001) interface and the interface Ag(001)/Ti/MgAl_2O_4(001), in which the reactive element Ti increases the strength of adhesion considerably. It is found that this beneficial effect of Ti is diminished by an oxidation of the Ti interlayer, whereas the excess oxygen has nearly no influence on the pure Ag/spinel interface.
机译:对于Ag和尖晶石之间的模型异相边界MgAl_2O_4,通过基于局部密度泛函理论的从头算电子结构计算,从理论上研究了过量氧对界面键合和粘附的影响。研究了弱粘合的Ag(001)/ MgAl_2O_4(001)界面和界面Ag(001)/ Ti / MgAl_2O_4(001),其中反应性元素Ti显着提高了粘合强度。发现通过钛中间层的氧化减弱了钛的这种有益作用,而过量的氧气几乎对纯银/尖晶石界面没有影响。

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