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Meeting Materials Science & Technology 2009
Symposium Characterization and Modeling of Ceramic-Ceramic and Metal-Ceramic Interfaces
Presentation Title Interfaces of Silicon Nitride Ceramics: Direct Imaging and First-Principles Studies
Author(s) Weronika Walkosz, Robert F Klie, Serdar Ogut, Biliana Mikijelj, Paul Becher, Albina Borisevich, Stephen Pennycook, Juan C. Idrobo
On-Site Speaker (Planned) Weronika Walkosz
Abstract Scope The widespread use of Si<SUB>3</SUB>N<SUB>4</SUB> in many high temperature and pressure applications is limited by brittleness. Rare-earth (RE) oxides, when included in Si<SUB>3</SUB>N<SUB>4</SUB>, have long been empirically known to overcome this problem by promoting the formation of a reinforced toughened microstructure. Using a combination of atomic-resolution Z-contrast imaging and electron energy-loss spectroscopy (EELS) as well as ab initio calculations, we examine the atomic and electronic structures at the interface between β-Si<SUB>3</SUB>N<SUB>4</SUB> and (i) CeO<SUB>2−δ</SUB> inter-granular film (IGF) as well as (ii) SiO<SUB>2</SUB> IGF. Our results show that O is present at the interface in direct contact with the terminating Si<SUB>3</SUB>N<SUB>4</SUB> structures and that the presence of REs affects the termination of Si<SUB>3</SUB>N<SUB>4</SUB> surface. Moreover, direct imaging of individual atomic columns formed by light elements in Si<SUB>3</SUB>N<SUB>4</SUB> was achieved. The observed structural and electronic variations at these interfaces will be briefly discussed in conjunction with the theoretical results.
Proceedings Inclusion? Undecided

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Adhesion and Bonding to Pure Aluminum from First Principles Density Functional Theory
Breakdown Mechanisms of Thin SiO2 on Si(001)
Characterization of Embedded Interfaces between Silicon Nanocrystals and Amorphous Silica Using Variable Charge Molecular Dynamics Simulations
Characterization of Physics, Chemistry, and Microstructure at Metal-Semiconductor and Oxide-SiC Interfaces and Effects on Electronic Properties
Control of Aspect Ratio in Synthesizing of Platelet SrTiO3 Templates for Texturing of PMN-PT Ceramics
Direct Imaging of Individual Dopant Atoms in Ceramic Grain Boundaries
Effect of Impurities and Dopants on Metal-Ceramic and Ceramic-Ceramic Interfaces in Thermal Barrier Coatings
Electrical Transport Properties of Metal/Complex Oxide Interfaces
First-Principles Modeling of Metal-Ceramic Interfaces: Growth Mode and Surface Defects
First Principles Study of GaN-GaN Junctions with Ultrathin AlN Interlayers
Fracture of Particle Reinforced Composite Hardmetals
Interface Structures of Nanosized Gold on TiO2 (110)
Interfaces of Silicon Nitride Ceramics: Direct Imaging and First-Principles Studies
Interfacial Phenomena in Al2O3–Nb and Al2O3–Ta Systems
Investigation of the Behavior of Pd and Rh on the CeO2(111) Surface
Liquid-Phase Bonded Aluminum/Sapphire Hetero Interface Structures
Modeling Early Stages of Cu(100) Oxidation by Density Functional Theory
Oxidation of Cu Surface by Water and Oxygen
Probing the Titanium Carbide / Nickel Interface Using 3D Atom Probe Tomography and Transmission Electron Microscopy
Quantitative Analysis of Grain Boundary Segregation in Oxides
Role of Anisotropic Interfacial Energy on Interface Populations in Metal-Ceramic Systems – A Monte Carlo Study
Size Dependent Properties of Interfaces
Strong Interaction at Interfaces between Nanosized Metal Particles and Single Crystal Oxides in Model Catalysts
Structural Investigation of Model Planar Perovskite-Supported Precious-Metal Catalysts
Structures of Low-Angle Grain Boundaries and Dopant Segregations in Alumina
TEM Cross Section Research of Pt Catalyst Nanoparticles on γ-Al2O3/NiAl Support
Thermal Transport Across a Thin Silica Dielectric Layer
Towards Microscopic Prediction of Macroscopic Properties through Atomic Resolution Microscopy and First-Principles Theory
**Ab Initio Modeling of Ba-O-Sc on W Cathode Materials (Previously scheduled in the Discovery and Optimization of Materials through Computational Design symposium on Wednesday at 10:00 AM)

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