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Meeting Materials Science & Technology 2016
Symposium Interfaces, Grain Boundaries and Surfaces from Atomistic and Macroscopic Approaches -- Fundamental and Engineering Issues
Dominique Chatain, CNRS, Aix-Marseille University
John Blendell, Purdue University
Paul Wynblatt, Carnegie Mellon University
Scope Interfaces between dissimilar materials and grain boundaries separating differently oriented crystals of the same material appear in almost all technological material systems. Examples include thin film materials for information storage, fuel cells, coatings, joins, and composites.

It is the goal of this session to establish an environment conductive to promoting communication and collaboration between groups using continuum approaches (e.g. thermodynamics) with groups studying the atomistic structure of interfaces, since bridging this particular scientific gap has the potential to generate new design criteria for advanced material systems. Topics for this session include:

• interface thermodynamics (interfacial energy, wetting, equilibrium crystal shapes);
• interface chemistry (segregation, adsorption, charge distribution at interfaces);
• interface structure (application of atomistic characterization techniques to probe the atomistic structure);
• complexions vs. wetting films of phases at surfaces and interfaces;
• the kinetics of interface and surface morphological changes (grain growth, faceting kinetics, surface and interface diffusion);
• atomistic simulations designed to understand the influence of local atomistic structure on the electronic structure and vice versa, and to predict or explain the properties of the surface and/or interface;
• organization of polycrystals and polycrystalline material properties;
• interface engineering for applications;

The goals of this symposium are to provide a well thought-out framework for scientific discussions of the issues listed above. This will include invited and submitted presentations to clearly present the open questions which the community must face in order to merge continuum and atomistic approaches of interface science.
Abstracts Due 03/31/2016
Proceedings Plan Undecided

A Phase Field Crystal Study of Defects in Multilayer Graphene
Agglomeration of Kinetically Constrained Thin Metal Films
An Atomistic and Continuum Approach to Dopant Segregation and Embrittlement at Molybdenum Grain Boundaries
An Efficient Algorithm for Determining the Minimum Energy Structures of Grain Boundaries
Atomistic Simulation of Grain Boundary Structures and Complexion Transitions
Capillarity in Pressure Infiltration Part II: Modeling
Capillarity in Pressure Infiltration Part I: Experimental
Carbon Adsorption on the Grain Boundaries Emerging on the Surface of BCC Iron
Chemical Demixing and Thermal Stability of Supersaturated Nanocrystalline CuCr Alloys: Insights from Advanced TEM
Complexion Diagrams and Phonon Engineering
Determining Appropriate Representative Volume Element Sizes for Grain Boundary Networks
Dewetting Transitions of Au/Ni Bilayer Films
Direct Correlation between Complexion Types and Grain Boundary Mechanical Behavior of Rare Earth Doped Magnesium Aluminate Spinel
Eigendecomposition and the Network Structure of Grain Boundaries in Polycrystals
Exploring the Thermal Stability of Nanocrystalline Fe-Mg Alloys
Faceting Model for Σ3 Grain Boundaries: Testing the Hypothesis
Grain-boundary Character Distribution and Correlations with Electrical and Optoelectronic Properties of CuInSe2 Thin Films
Grain and Domain Interfaces for Thermoelectric Oxide Materials
Grain Boundary Energy and Curvature Determined from Three-dimensional Microstructure Data
Grain Boundary Engineering of Shape Memory Alloys for Enhanced Transformation Ductility
Grain Boundary Line Defects in Polycrystalline Al2O3 and their Dominant Role in High Temperature Phenomena
Grain Boundary Segregation in Nanocrystalline Alloys: Case Study of Platinum-gold
Grain Boundary Structural Length Scales and their Effects upon Mobility
Grain Growth Transitions in Perovskite Ceramics
Heteroepitaxial Recrystallization in γ- γ ' Nickel Base Superalloys
Interface Stabilization and Epitaxy of Rutile and α-PbO2 Polymorphs of MO2 Dioxides on Columbite-structured Substrates
Investigating the Interplay between Grain Boundary Facet Junctions and Interfacial Dislocations
Materials Databases: Grain Boundary Datasets for Quantifying Structure-property Relationships
Modeling the Effect of Adsorption on the Kinetics of Grain Growth
Origins of Residual Stress in Thin Films: Effects of the Microstructure and Growth Kinetics
Probing Grain Boundaries to Determine the Thermal Stability Mechanisms of Nanocrystalline Ni-W
Simulated Migration of Incoherent Facets in Twin Grain Boundaries
Spin-polarized Two-dimensional Electron Gas at Ferroelectric Oxide Interfaces
Stress Relaxation in Tin Thin Films: From Whiskers to Grain Growth
Structural Characterization of Triangle-shaped Lattice Defects in 4H-SiC Epitaxial Layer
Surface and Grain Boundary Segregation of Hydrogen and Its Effect on the Ideal Work of Fracture of Iron and Nickel
Synthesis of Hollow Metal Nanostructures by Surface Diffusion Induced Bulk Intermixing
The Curious Role of Nickel in Ceramics for Energy Applications
The Effect of Oxygen Partial Pressure on Oxygen Transport Kinetics in Alumina Grain Boundaries
The Generating Algorithm for Coincidence Site Lattices in General Bravais Lattice Systems
The Influence of Crystallographic Constraints on Percolation
The Mechanics and Thermodynamics of Interfacial Complexions in Transition Metal Alloys
The Role of the Water/Glass Interface on Material Properties
Thermal Stability and Phase Transformation of Nanostructured Nb3O7(OH) Photocatalyst
Understanding the Role of Interfaces and Hierarchical Microstructure on the Behavior and Stability of Metallic Nanolaminates Using Atomistic Modeling
Wetting Dynamics of Liquid Lead on Silica-patterned Iron

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