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Spark Plasma Sintering Apparatus Used for the Formation of Strontium Titanate Bicrystals
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Published on: February 9, 2017

Bonding and structure of ceramic-ceramic interfaces.

Kohei Shimamura1, Fuyuki Shimojo, Rajiv K Kalia

  • 1Collaboratory for Advanced Computing and Simulations, Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089-0242, USA.

Physical Review Letters
|August 27, 2013
PubMed
Summary
This summary is machine-generated.

Thermal annealing creates strong aluminum oxide/silicon carbide interfaces by forming cation-anion bonds. This atomistic insight aids in designing advanced ceramic composites for high-temperature applications.

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Published on: January 7, 2019

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Ceramics Engineering

Background:

  • High-temperature ceramic composites require robust interfaces for optimal performance.
  • Understanding interfacial bonding is crucial for material design and application.

Purpose of the Study:

  • To investigate the atomistic mechanisms of interface formation between alpha-Al2O3(0001) and 3C-SiC(111) under thermal annealing.
  • To elucidate the role of cation-anion bonds in strengthening these ceramic interfaces.

Main Methods:

  • Quantum molecular dynamics (QMD) simulations were employed to model the interface.
  • Analysis of interfacial structures and bond densities was performed.

Main Results:

  • Thermal annealing promotes the formation of interfaces dominated by cation-anion bonds.
  • A Si-terminated SiC surface forms a stronger interface (Si-interface) with higher Si-O bond density (12.2 nm⁻²) compared to a C-terminated interface (Al-C bond density of 9.46 nm⁻²).
  • An Al2O3 interphase layer (2-8 Å thick) forms, contributing to interface strengthening.

Conclusions:

  • Atomistic simulations reveal that thermal annealing significantly enhances the strength of Al2O3/SiC interfaces.
  • The formation of cation-anion bonds and an interphase layer are key to achieving robust interfaces.
  • This understanding facilitates the rational design of high-temperature ceramic composites for demanding applications, including power generation systems.