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Meeting 2016 TMS Annual Meeting & Exhibition
Symposium Interface-driven Phenomena in Solids: Thermodynamics, Kinetics and Chemistry
Presentation Title Grain Boundary Damage Resistance and Accommodation using Atomistic Simulations
Author(s) , Daniel Foley
On-Site Speaker (Planned)
Abstract Scope As grain boundaries (GBs) have a fundamental effect on material properties, especially as grain size is reduced to the nanoscale, understanding their inherent ability to accommodate extrinsic defects and damage is of paramount importance for tuning material properties through methods such as GB engineering. It is known that strong correlations exist between GB character and observed physical properties, such as mobility, deformation, and stability. Therefore, in this work we leverage atomistic simulations employing a biased Monte Carlo approach to estimate the damage saturation limit of various low and high-angle GBs in a model FCC metal by analyzing modified atomic flow behavior and structural disorder within the interface during excess damage absorption. Our results highlight the damage saturation point of these boundaries and quantify the role of the non-equilibrium state of the GB on its mechanical stability.
Proceedings Inclusion? Planned: A print-only volume


A General and Predictive Model of Anisotropic Grain Boundary Energy and Morphology for Polycrystal-level Simulations
A Three-dimensional Polyhedral Structural Unit Model for Grain Boundaries in FCC Metallic Systems
Abnormal Grain Growth-The Role of Curvature in Pinned Microstructures
Allotropic HCP to BCC Ti Transitions in Ti/BCC Multilayered Thin Films
Assessing the Effect of Hydrogen on Slip Transmission across Grain Boundaries in α-Fe
Atomic-Level Mechanisms of Grain Boundary Segregation and Embrittlement in Nickel-Sulfur
Atomic Investigation of the Role of Alloying Elements on the Thermodynamics of Vacancies and Vacancy-Hydrogen Clusters at Symmetric Tilt Boundaries in Nickel
Atomistic Parameterization of Analytical Descriptions of H Segregation
Building, Optimizing and Characterizing Grain Boundaries in Atomistic Simulations
Coarsening of a Two-Phase System with Asymmetric Bulk Mobilities
Cr Segregation on Grain Boundary Character and Intrinsic Stress Evolution in Fe(Cr) Nanocrystalline Films
Dynamic Observation of Step Nucleation and Propagation at Grain Boundaries
Effect of Beta Stabilizers on Stacking Faults Energies in α-Titanium
Equilibrium Fluctuations of Grain Boundary Properties in Alloy Systems
Experimental Observations and Modeling of Interfacial Defects at an Asymmetric Σ=5 Grain Boundary in Fe
Exploring the Causes and Effects of Fast Grain Boundary Motion
Grain Boundary Adsorption Transition and Their Influence on Mass Transport and Microstructural Evolution
Grain Boundary Damage Resistance and Accommodation using Atomistic Simulations
Grain Growth and Segregation in Hf-Ti Nanometallic Multilayers
Grain Network Connectivity in 3D Copper Microstructures Resulting from Disparate Processing Routes
High-throughput Grain Boundary Property Calculations: Barriers and Solutions
HREM Studies on the Nature of Morphological Changes in (110) Grain Boundaries of Silicon Phase Found in Sr-induced Al-Si Eutectic Alloys
Interface-driven Plasticity in Two-phase Composites
Interface Mediated Formation of Monatomic Metallic Glasses
Kinetics of Phase Transformation during Lithiation of Sn Electrode Materials
Microstructure Design of Mechanically Alloyed Materials
Microstructure Evolution and Consolidation Kinetics Prediction in Powder Materials during Field Assisted Sintering Technique
Migration Mechanisms of Flat Σ3 Grain Boundaries
Mitigating Radiation-Induced Segregation and Radiation-Induced Precipitation via Materials Nanoengineering
Modeling Thermodynamics, Kinetics and Defects in Solidification Phenomena Using Phase Field Crystal Methods
Molecular Dynamics Simulation of B2-B33 Transformation in Ni-Zr Alloy
Nanostructures Formation from Pulsed-laser Induced Rayleigh-Taylor Instabilities at Metal/fluid Interfaces
On the Interaction of Solutes with Grain Boundaries
Periodic Layers Structure in Mg/SiO2 System Created in the Solid State
Structural Modifications Due to Interface Chemistry at Metal-nitride Interfaces
Structure, Bonding and Adhesive Strength of Interfaces between fcc Fe and Mixed Transition Metal Carbides and Nitrides M1M2[C,N] and the Role of Misfit Dislocations
The Atomistic Mechanism of Interface Migration during a Diffusional Structural Phase Transition
The Development of Large Twin Related Domains in Grain Boundary Engineered Cu
The Effect of Interfaces and Hierarchical Structure on the Deformation Behavior of Metallic Nanolaminates
The Influence of Local Stress States on Hydrogen Segregation at Grain Boundaries in FCC Metals
The Influence of Temperature in the Formation of Highly Nanotwinned Cu Alloys: Varying the Twin Thickness
The Role of Interfaces for Structural Transformations Among Austenite, Ferrite and Cementite in Fe-C Alloys
The Temperature Dependence of Grain Boundary Energy in Yttria-doped Alumina: Effect of a Complexion Transition
Thermodynamic High-temperature Stability in Nano Metallic Multilayers
Twin Boundary Energy as a Driving Force for Microstructural Instability in Thin Films
Utilizing TEM-based Techniques to Map Strain Fields near Interfaces in Metals and Ceramics
Watching the Growth of Si Particles in a Liquid: The Role of Twin Defects on Microstructural Evolution
Wetting of Three Different Cu-Nb Interfaces by He Precipitates
Zener Pinning of Grain Boundary Migration in Immiscible Nano-crystalline Alloys

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