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Meeting 2018 TMS Annual Meeting & Exhibition
Symposium Non-equilibrium Features of Grain Boundaries
Sponsorship TMS Materials Processing and Manufacturing Division
TMS Structural Materials Division
TMS: Advanced Characterization, Testing, and Simulation Committee
TMS: Computational Materials Science and Engineering Committee
Organizer(s) Liang Qi, University of Michigan
Yue Fan, University of Michigan, Ann Arbor
Josh Kacher, Georgia Tech
Elizabeth Holm, Carnegie Mellon University
Irene Beyerlein, University of California, Santa Barbara
Shigenobu Ogata, Osaka University
Scope The interfacial regions separating different grains in polycrystalline materials, while occupying only a small fraction of total volume, largely control the system’s properties, including mechanics, mass/heat transfer, radiation resistance, etc. The misorientation angle has been widely used to describe the structures of grain boundaries (GBs), but only a few types of GBs (i.e. with low energy and some special “coincidence number” Σ) are well understood at the current stage. In reality given the large variety of possible geometries, the higher disorder levels at interfaces, and their different responses to external stimuli, global equilibrium is rarely achieved in GBs of polycrystalline materials. In contrast, the large scale of non-equilibrium metastable states and the thermodynamics and kinetics therein play decisive roles in determining the GBs’ properties and their microstructural evolutions.
This symposium aims to accelerate the development of new concepts and methodologies in effectively describing GBs. The role of disorders at interfaces, the broad distributions of energies and activation barriers, and their interplays with complex surrounding environments will be particularly focused. Both experimental and theoretical (including modeling and simulation) studies are encouraged. The topics of interest to this symposium include, but are not limited to, the following:

- Energetics and activation barriers spectra in materials with high level of disorder (e.g. grain boundaries, amorphous states, etc)
- Non-equilibrium thermodynamics and metastabilities of grain boundaries
- Novel experimental and theoretical techniques for microstructural characterization of interfaces
- Interactions between interfaces and extrinsic defects (e.g. dislocations, point defects, impurities, etc) and their mechanical consequences
- Grain boundary kinetics and phase transformations at different external stimuli (e.g. mechanical loading, temperature variation, irradiation, etc)
Abstracts Due 07/16/2017
Proceedings Plan Planned: Supplemental Proceedings volume

A New Mathematical Framework for Simulation of Grain Growth
Activation Volume Tensors for Atomistic Events at Grain Boundaries
An Atomistic Survey of Grain Boundary – Dislocation Interactions in FCC Nickel
Atomic-scale Study of Twin Growth in Zirconium
Changes in the Grain Boundary Character and Curvature Distributions of Nickel at Multiple Annealing Stages from Three-dimensional X-ray Microscopy
Characterization of Single Grain Boundary and Interface Mechanical Properties Using In-situ TEM
Competing Effects of Nonmetal Impurities and Planned Metallic Dopants on Grain Boundary Deformation
Continuum Framework for Dislocation Structure, Energy and Dynamics of Dislocation Arrays and Low Angle Grain Boundaries
CSL Pinning Mechanism Associated with Non-thermally Activated Mobility in Sigma 7 and Sigma 9 Grain Boundaries
Discovering the Atomic Building Blocks of Grain Boundaries Using Machine Learning
Dislocation Interactions with Bi-phase Interfaces Using Phase Field Dislocation Dynamics (PFDD)
Dislocation Nucleation from Grain Boundary: A Comparison between Conventional MD and Accelerated MD
Dislocations, Twins, Grain Boundaries and their Interactions in HCP Rhenium
Effect of Neutron Irradiation on Deformation Homogeneity in Polycrystalline Materials
Exploring the Interactions between Grain Boundaries and Precipitates in a Ni-Al Using Molecular Dynamics
Grain Boundaries Driven Far from Equilibrium by a Continuous Influx of Vacancies
Grain Boundary Factors Related to Void Formation
Grain Boundary Network Structural Metrics and Phase Transitions
Grain Boundary Spinodals: Faceting Instability and the Role of Junction Energetics
Grain Boundary Statistical Mechanics: A Disconnection Dynamics Approach
Grain Boundary Structure Characterization with the Smooth Overlap of Atomic Positions Descriptor
Grain Coarsening in Two-dimensional Phase-field Models with an Orientation Field
Mapping of 3D Grain Boundary Characteristics by LabDCT
Mechanical Behavior of (Ni,Fe)Cr2O4 Spinel Grain Boundaries Studied by Molecular Dynamics Simulations
Reconciling Grain Growth and Shear-coupled GB Migration
Structures and Transitions in BCC W Grain Boundaries
The Effect of Segregation and Precipitation on Grain Growth in Eu-doped MgAl2O4-spinel
The Influence of 3-D Structure on the Mechanical Behavior of Layered Nanocomposites
The Role of Non-equilibrium Grain Boundary Structure in Radiation Tolerance and Thermal Stability
Thermally Induced Grain Coarsening in Alpha Iron
Topological Defects in 2D Orientation-field Models for Grain Growth
Understanding the Behavior of a Polycrystalline Aggregate with Sub-crystal Resolution Using High Energy X-rays
Understanding the Effects of Hydrogen on the Plasticity of Individual Crystals within a Polycrystalline Nickel Aggregate Using High Energy X-ray Diffraction and High Pressure Torsion.
Understating the Deformation and Fracture Behaviors of Heterogeneous Lamella Structures
Unraveling Anti-thermal Behavior in a Variety of FCC Metals

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