title: Bonding and structure of ceramic-ceramic interfaces.
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.
authors: Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089-0242, USA.
authors: Kohei
authors: K
authors: Shimamura
authors: Fuyuki
authors: F
authors: Shimojo
authors: Rajiv K
authors: RK
authors: Kalia
authors: Aiichiro
authors: A
authors: Nakano
authors: Priya
authors: P
authors: Vashishta