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Meeting 2010 TMS Annual Meeting & Exhibition
Symposium Solid-State Interfaces: Toward an Atomistic-Scale Understanding of Structure, Properties, and Behavior through Theory and Experiment
Presentation Title Interfacial Defect Mechanism in the Precipitation of Tetradymite Plates in Rocksalt-Structured Tellurides
Author(s) Douglas L. Medlin, J. D. Sugar
On-Site Speaker (Planned) Douglas L. Medlin
Abstract Scope Controlling the formation and stability of interfaces is important in developing high performance thermoelectric nanocomposites. Here, we consider the transformation mechanism between rocksalt and tetradymite-structured tellurides. Such compounds encompass a wide range of important thermoelectric materials. Our HRTEM observations of tetradymite-structured Sb<SUB>2</SUB>Te<SUB>3</SUB> plates within rocksalt structured AgSbTe<SUB>2</SUB> have identified a defect that can transform the rocksalt phase to the tetradymite phase through a diffusive-glide mechanism. We analyze this mechanism by establishing the geometric properties of the defect-- namely its step height and Burgers vector, which has components both perpendicular and parallel to the interface. Climb of the perpendicular dislocation component removes a metal plane from the rocksalt phase, forming the tellurium double-layer. Glide of the parallel component places the close-packed planes into the correct tetradymite stacking sequence. The defect properties also give the atomic flux requirements for defect motion, which we analyze for different compositions of the two phases.
Proceedings Inclusion? Definite: A CD-only volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A First Principles Study of Hydrogen Trapping at Carbides in Steels
Atomic-Scale STEM-EELS Mapping of Structure, Chemistry, Bonds and Electronic Properties across Functional Interfaces
Atomic-Scale Study of Nanoindentation in FCC Crystal with Internal Interface
Atomic Scale Characterization of Deformation Induced Interfacial Mixing in a Nanostructured Cu/V Composite Wire
Atomic Scale Structure and Composition across Γ/Γ’ Interfaces in Ni-Base Superalloys
Chemical Interface Width and Triple Line Transport in Metallic Multilayers
Chemomechanical Analysis of Metal Nanoparticle Interfaces under Extreme Environments via Molecular Dynamics Simulations
Ductility, Interfacial Shear, and Fracture of Cu/Nb Nanolayered Composites
Effects of Solute and Vacancy Segregation on Antiphase Boundary Migration in Fe3Al with Stoichiometric and Off-stoichiometeric Composition
Flexible Boundary Condition Methods for Interfaces: Dislocation/Twin-Boundary Interactions
Fundamental Derivation of Phase Field Equations for Microstructural Evolution in Metals with Defects
Gamma/Gamma Prime Interfacial Free Energies in Nickel-Based Alloys: Atom-Probe Tomographic Experiments and First-Principles Calculations
Grain Boundary Misorientation Instabilities
Grain Boundary Properties in Three Dimensions
Heterogeneous Nucleation of Nisi2 Epitaxial Growth in Si Nanowires
Influence of Grain Boundary Chemistries in Mix-mobility Thin Film Growth
Interface Enabled Defects Reduction in Helium Ion Irradiated Cu/V Nanolayers
Interfacial Defect Mechanism in the Precipitation of Tetradymite Plates in Rocksalt-Structured Tellurides
Interfacial Structure and Morphological Evolution of Platinum Nano-precipitates Embedded in Sapphire
Intrinsic Electric Fields in Nanostructured Oxide Ceramics
Measurement of the Interface Width by Atom Probe Tomography
Mechanisms of Point Defect Migration in CuNb Interfaces
Metastability and Competition in Grain Boundary Complexion Transitions
Microstructural Stability and Plastic Deformation in Nanocrystalline Copper Doped with Antimony: Experiments and Molecular Dynamics Simulations
Molecular Dynamics and Molecular Statics Studies of Cascade Damage in Twist Grain Boundaries in Copper
Nanoscale Characterization of a Nanostructured Fe-Y2O3 Composite Material
On the Thermodynamic Stabilization of Defects in the Framework of a Defactant Concept
Quantification of Microstructure Variability in Surrogates for Oxide Nuclear Fuels and Its Effects on Local Mechanical Properties
Radiation Damage and He Solubility at Semi-coherent Cu/Nb Interfaces
Schottky Barriers at Interfaces between Transition Metals and Strontium Titanate
Simulations of Dislocation Pile-up at Asymmetric Tilt Boundary in Aluminum
Spatially Resolved Compositional Measurements Across Interfaces, Phase Separations, and Non-Conservative Faults in Complex Oxides
Structure and Chemistry of Nanometer-Thick Intergranular Films at Au-Al2O3 Interfaces
Structure and Hardness of V/Ag Multi-layers
TEM Analysis of the Structure and Deformation Behavior of an Incommensurate Grain Boundary in Gold
The Behavior of Σ 11, <110> {252}{414} Grain Boundary in Aluminum Under Shock Loading by Molecular Dynamics Simulations
The Structure of Uranium Dioxide Grain Boundaries and its Influence on Fission Gas Segregation
Theoretical and Simulation-Based Predictions of Grain Boundary Kapitza Resistance in Semi-Conductors
Thermal Conductance of Solid-State Interfaces
Thermodynamics of Solid-Fluid Interfaces with Non-Hydrostatically Stressed Solids
Towards Improved Representations and Maps of the Grain Boundary Character Distribution

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