陶瓷-陶瓷界面的结合和结构。

Bonding and structure of ceramic-ceramic interfaces.

机构信息

Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089-0242, USA.

出版信息

Phys Rev Lett. 2013 Aug 9;111(6):066103. doi: 10.1103/PhysRevLett.111.066103. Epub 2013 Aug 8.

DOI:10.1103/PhysRevLett.111.066103

PMID:23971593

Abstract

Quantum molecular dynamics simulations of α-Al2O3(0001)/3C-SiC(111) interfaces reveal profound effects of thermal annealing for producing strong interfaces consisting solely of cation-anion bonds and their consequence on interfacial structures. A Si-terminated SiC surface and Al2O3 form a stronger interface (Si-interface) with a Si-O bond density of 12.2 nm(-2), whereas the C interface has an Al-C bond density of 9.46 nm(-2). The interfacial bond strengthening is accompanied by the formation of an Al2O3 interphase with a thickness of 2-8 Å. Such atomistic understanding may help rational interfacial design of high-temperature ceramic composites for broad applications such as power generation systems.

摘要

α-Al2O3(0001)/3C-SiC(111) 界面的量子分子动力学模拟揭示了热退火对产生仅由阴阳离子键组成的强界面的深远影响，以及它们对界面结构的影响。Si 终止的 SiC 表面和 Al2O3 形成了更强的界面（Si 界面），其 Si-O 键密度为 12.2nm(-2)，而 C 界面的 Al-C 键密度为 9.46nm(-2)。界面键的增强伴随着厚度为 2-8Å 的 Al2O3 中间相的形成。这种原子水平的理解可能有助于高温陶瓷复合材料的合理界面设计，以广泛应用于发电系统等领域。