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Meeting 2014 TMS Annual Meeting & Exhibition
Symposium Solid-state Interfaces III: Toward an Atomistic-scale Understanding of Structure, Properties, and Behavior through Theory and Experiment
Sponsorship TMS Electronic, Magnetic, and Photonic Materials Division
TMS Structural Materials Division
TMS: Chemistry and Physics of Materials Committee
Organizer(s) Xiang-Yang (Ben) Liu, Los Alamos National Laboratory
Blas P Uberuaga, Los Alamos National Lab
Stephen Foiles, Sandia National Labs
Mitra L. Taheri, Drexel University
Rampi Ramprasad, University of Connecticut
Scope Understanding interfacial structure, the mechanisms governing interface evolution, and the interplay between the atomic structure and interfacial composition with interfacial behavior poses a long–standing problem. In recent years, advances in atomic–scale modeling and atomic–resolution microscopy have provided new insights into the full spatial and temporal character of interfaces. These advances are providing new opportunities for designing materials that exploit these interfaces, but also greater need for closer synergy between the computational materials modeling and the microscopy communities. This continuing symposium, which builds on the success of the first two symposia held at the 2010 and 2012 TMS Annual Meetings, will examine advances in understanding the detailed atomic-level structure and composition of interfaces and the connection of that structure to the properties of materials containing these interfaces.

Both modeling and experimental studies are solicited with a particular emphasis on investigation of the atomic-scale constitution of interfaces and/or incorporate knowledge of atomic-level structure and properties of interfaces into mechanistically-informed design of materials.

Specific topics where contributions are encouraged include but are not limited to:
- Understanding of interfaces using molecular dynamics and first-principles methods
- Experimental characterization of interfaces
- Understanding the interaction between defects and interfaces
- Irradiation response of interfaces
- Microstructure evolution and phase stability related to interfaces
- Mass transport at interfaces, such as solute segregation and diffusion
- Thermodynamics and kinetics of interfaces
- Electronic, magnetic properties at interfaces
- Phase transformations at interfaces
- Interface structure and interface dislocations
- Coherent, semi-coherent, and incoherent heterogeneous interfaces
- Grain boundaries
Abstracts Due 07/15/2013
Proceedings Plan Planned: A print-only volume
PRESENTATIONS APPROVED FOR THIS SYMPOSIUM INCLUDE

A Continuous Method for the Calculation of the Reduction in Interfacial Gibbs Free Energy Due to Interfacial Segregation
A Nanomolecular Approach for Tailoring Multiple Properties of Inorganic Heterointerfaces
A Study of Interfacial Sliding in Cu/Nb Bicrystals
Ab Initio Study on the Role of Interfaces for Structural Transformations in the Fe-C System
Atomic-scale Observations of Grain Boundary Structure in Bismuth Telluride
Atomic Mechanisms of Interface Motion in Gold Bicrystals
Atomic Modeling of Asymmetric Tilt Grain Boundaries in SrTiO3
Atomic Scale Characterization of Ion Irradiated Heterogeneous Ceramic Oxide Interfaces
Atomic Scale Investigation of Grain Boundary Structure role on Deformation and Crack Growth Dynamics in Aluminum
B55: Charge Transfer Molecular Dynamics Simulations on Ni Vacancy Behavior at Ni/NiO Semi-coherent Interfaces
B56: Workfunction Tuning of zinc Oxide Based Thin Films for Device Applications
B57: In Situ Analysis of the Sensitization of Grain Boundary Engineered 316 Stainless Steel
Cation Diffusion and Surface Reactivity in Iron Sulfide Fe1-xS
Characterization of Atomic Relaxations at Grain Boundaries in Au Using Aberration-corrected Electron Microscopy
Characterizations of Various Dislocations Present at or near a Σ3[-110]/(-1-11) Grain Boundary of Aluminum by High Resolution Electron Microscopy
Characterizing Complex Metal-oxide Interfaces via Virtual Diffraction
Designing Interfaces for Maximum Strength, Deformability and Toughness in Metal-ceramic Nanocomposites
Determining the Burgers Vectors and Elastic Strain Energies of Interface Dislocation Arrays Using Anisotropic Elasticity Theory
Developing Grain Boundary Diagrams for Multicomponent Alloys
Developing Nanoalloy Stability Diagrams to Guide the Sintering of Binary Nanocrystalline Alloys
Diffusion and Segregation of Ag in Cu near Special Grain Boundaries
Effect of Ge on Atomic Structure and Mobility of Grain Boundaries in Au Bicrystal Thin Films
Effect of Vacancy Ordering and Order-disorder Transitions on Ionic Diffusivity in Iron-sulfide Passive Corrosion Films
Effects of GB Crystallography and Mobility on Microstructural Evolution of d-UO2+x during the Final Sintering Stage
Environment-dependent Interfacial Strength Using First Principles Thermodynamics: The Example of the Pt-HfO2 Interface
Examination of the Full Grain Boundary Character on Radiation Induced Segregation and Defect Denuded Zones in 316L and Ni-Cr Model Alloy
Fabrication and Characterization of Oriented Fe-Y2Ti2O7 Interfaces: Implications to the Development and Optimization of Nanostructured Ferritic Alloys
Fluctuations in Pre-melted Grain Boundaries
Helium Storage in Oxides and at Oxide–iron Interfaces from First-principles
High Temperature Grain Boundary Phase Transformations Induced by Point Defects
High Throughput Quantification of Grain Boundary Segregation by Correlative Transmission Electron Microscopy and Atom Probe Tomography
In Situ Observation of Grain Boundary Network Development during Grain Boundary Engineering Processes
Interfaces in Extreme Environments: Modeling across Multiple Scales
Interfacial Migration and Deformation during Indentation-induced Grain Growth of Nanocrystalline Nickel
Interfacial Reactions and Phase Growth for Various Metal/Amorphous Si System
Interfacial Segregation in MoSi2-Based Duplex Alloys: A Phase-field Study Combined with First-principles Calculation
Intra-variant Substructure in Ni2MnGa Martensite: Conjugation Boundaries
Investigation of Atomic-scale Energetics on Liquid Metal Embrittlement of Aluminum Due to Gallium
Line Tension of Grain Boundary Triple Junctions in the Copper Tricrystals
Microstructurally Explicit Study of Transport Phenomena in Uranium Oxide
Plastic Responses of Copper-lead Bicrystal Interfaces to Shock Loading
Radiation Response of Immiscible Ag/Ni Multilayers
Realistic Interfaces in Metallic Glass/Crystalline Composites
Self-trapping at Surfaces and Interfaces of Functional Oxides
Spiral Patterns in Dislocation Arrangements at Nodes in (111) Semi-coherent Interfaces in FCC Crystals
Structural Distortions at Interfaces - The Interplay between Surface and Volume Free Energy
Surface and Grain Boundary Segregation in Oxides: Implications for Stability of Nanocrystalline Oxides
Surface Chemical Defects on Sapphire Contributing Paramagnetic Noise to Superconducting Circuits
The Effect of Stress-coupled Grain Boundary Migration on the Mechanical Response of Nanocrystalline Thin Films
The Effects of Solutes on Thermal Stability of Nanotwins
The Role of the Transition Metal Dopants in Hydrogen Pickup Kinetics at the Zirconium Oxide – Water Interface: A Density Functional Theory Study
The Unusual Effects of Bismuth Segregation on Nickel Grain Growth
Trans-Interface-Diffusion-Controlled Coarsening of Precipitates in Ternary Alloys
Tuning Interfaces in Cu-Nb Nanolamellar Composites by Strain Path Changes
Vacancy Structure and Mobility at Low-angle Twist Grain Boundaries in MgO
Viscoelasticity of Stepped Interfaces


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