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Meeting MS&T22: Materials Science & Technology
Symposium Grain Boundaries, Interfaces, and Surfaces: Fundamental Structure-Property-Performance Relationships
Sponsorship ACerS Basic Science Division
Organizer(s) Shen J. Dillon, University of California, Irvine
Wolfgang Rheinheimer, Julich Research Center
Catherine Bishop, University of Canterbury
Ming Tang, Rice University
John Blendell, Purdue University
Wayne D. Kaplan, Technion - Israel Institute Of Technology
Melissa K. Santala, Oregon State University
Scope Interfaces play a key role in microstructure evolution of polycrystals and complex material systems. Many engineering properties are dominated by interfacial properties, e.g. mechanical properties that depend on the grain boundary structure. For electronic materials, grain boundaries and interfaces significantly affect charge carrier mobility. In most ceramic systems, interfaces include a charged core with an adjacent space charge, posing a significant challenge for applications in the field of ionic conductors, e.g. electrolytes in SOFC or solid-state electrolytes for Li batteries.

This symposium invites contributions addressing the thermodynamics, kinetics, and structure of interfaces, and the resulting microstructural evolution and material properties. These fundamental questions require contributions that address issues at various length scales, both experimental and theoretical. Of interest are the fundamentals of interface structure, chemistry, space charge, evolution and properties in functional settings such as batteries, fuel cells, ferroelectrics, photovoltaics, catalysts and sensors during processing or operation.

The symposium will include a panel discussion with an emphasis on identifying current paradigms and new directions for research on interfaces in ceramic materials. This discussion will provide an opportunity for students and young researchers to gain an overview to the field and to pose questions and discuss issues beyond textbook knowledge. It will also serve to support the community as a whole in coordinating efforts and stimulating new co-operations.

Topics of this symposium include but are not limited to:

- Thermodynamic vs. kinetic stability of interfaces
- Thermodynamics and kinetics of microstructural evolution:
wetting, sintering, grain growth, anisotropy
- Theory, modeling, data analysis and informatics methodology for predicting interface structure and structure-property relations across length and time scales
- Advanced (in-situ) characterization techniques applied to interfaces
- Fundamentals of space charge:
segregation, adsorption, electronic structures
- Impact of interfaces on applications:
ionic conductors, catalysis, composites, and sensors

Abstracts Due 05/15/2022
Proceedings Plan Undecided

Advanced (S)TEM Characterization of the Role of Interfaces and Defects during Electrochemical Cycling of Oxide Based Solid Electrolytes and Electrode Materials
Alteration of Microstructures by Stressing Surfaces and Interfaces
Atomic Structure Analysis of Inversion Domain Boundary in MgO-doped AlN
Atomistic and Gaussian Process Modeling of Solute Segregation in Metastable Grain Boundaries
Atomistic Dynamics of Deformation, Fracture and GB Migration in Oxides
Changes in the Energy of the Grain Boundary Network during Grain Growth in Polycrystals
Characteristics of Steady State and a Scale Law of Plastic Deformation
Characterizing Interface Diffusion Mechanisms in Al and Al-Si Alloys via Atomistic Simulations
Computational Modeling of Surface Segregation Dynamics in Cu-Au Alloys
Cracking in a Reacted Layer Material
E-2: Effect of Interfacial Microstructure on Tensile Property and Fracture Behaviour of Bicrystal and Polycrystal Fe/Ni Interface
E-3: Fundamentals of Recrystallization in Binary Nb-Alloys
E-4: Grain Boundary Energy Variation Related to the GBPD in Forsterite, Mg2SiO4, as a Function of Grain Size
E-5: Investigating the Relationship between Magnetic Barkhausen Noise, Microhardness, and Microstructural Development during Aging in HY-80 Steel
E-6: Mesoscale Modeling for Time Dependent Grain Boundary Evolution
E-7: Molecular Dynamics Study of the Deformation Behavior of Metallic Substrates under Shear/Vibration
E-8: Theoretical and Machine Learning Studies of Grain Boundary Segregation and Solute Drag Effects
E-9: Viscoelastic Bandgap and Thermal Transport in Inorganic-organic Nanolaminates
Effects of Interdiffusion on Cu/Ni Semi-coherent Interface Properties
Electronic Structure Engineering through Atomic-scale Strain Control In Complex Oxide Heterostructures
Elucidating the Role of Grain Boundary Networks on Grain Growth in Textured Alumina
Fundamental Structure-Property-Performance Relationships of Unidirectional Grain Boundaries, Interfaces, and Surfaces during SHS Processing
Grain-boundary Energy Variation and Evolution during Dislocation-assisted Grain-boundary Sliding in Polycrystaline Mg2SiO4 – Linking Earth and Materials Sciences
Grain Boundary Character and Relative Energy Distributions in Nanocrystalline Metallic Films
Grain Boundary Metal-insulator Transitions in Ionic Ceramics
Grain Boundary Segregation and Impedance in Dielectric Ceramics
Grain Growth Study of Strontium Titanate: Comparison between High Energy X-ray Diffraction Microscopy and Simulation
Impact of Grain Boundaries on the Dielectric Behavior of Graphite
In-situ TEM Observation on the Two Distinct Shear-coupled Migration Behaviors of One Mixed Grain Boundary
Influence of Misfit Dislocations on Oxygen Vacancy Migration at SrTiO3/BaZrO3 Heterointerfaces
Learning the Grain Boundary Solute Drag Hypersurface
Measurements of 3D Microstructures to Determine Grain Boundary Velocities in Polycrystals
Moisture Incorporation and Degradation in Dielectrics and Piezoelectrics
Multiphysics-Based Data Analytics of LiMn2O4 Particles Decrepitation
Predicting Grain Boundary States in Ferroelectrics
Simulate Grain Growth with Machine Learning Techniques
Suppression of Abnormal Grain Growth in Alumina by Grain Boundary Engineering
Surface Thermochemistry of TiO2 Doped with Alkaline Earth Metal Ions and Its Relationship with Nanostructure
The Role of Grain Boundaries in Nucleation-controlled Plasticity of Metal Nanoparticles
Understanding Grain Boundary Properties and Transitions in Multiple Dimensions
Understanding of Interface-property Relationships of Vertically Aligned Mixed Ionic Electronic Conductor-ionic Conductor Heterostructures
Vacancies and Other Grain-boundary Surfactants and Their Effect on Grain Growth

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