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Meeting MS&T24: Materials Science & Technology
Symposium Grain Boundaries, Interfaces, and Surfaces: Fundamental Structure-Property-Performance Relationships
Presentation Title Grain Boundary Misorientation-Dependent Phase Transforming TiOx Polycrystals
Author(s) Alfredo Sanjuan Sanjuan, Edwin R García, Jarrod Lund, Shang Zhongxia, Noam Berstein, Steve Hellberg, Xinghang Zhang, Haiyan Wang
On-Site Speaker (Planned) Alfredo Sanjuan Sanjuan
Abstract Scope In many applications such as paint additive, microelectronics, batteries, etc., TiO2 plays an important role in contributing to the performance and reliability that they are part of. Experimentally, the formation of stoichiometric TiO2 has been found in the vicinity of grain boundaries, impacting the properties and microstructure evolution, particularly during processing. This work presents a phase field framework to predict the formation of stoichiometric TiO2 phases near the grain boundaries. Different driving forces, such as the mechanical compression applied to the sample, the electric field that results from a voltage difference across then polycrystal, the external oxygen atmosphere, and the grain boundary misorientation all impact on the phase transformation state of the sample. These mechanisms are explored to tailor the formation of stoichiometric phases to understand the driving forces to assess the internal redistribution of the dislocations and the phase transition that occur near the grain boundaries.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Correlative Microscopy Framework for In Situ Grain Growth Studies in Thin Films
A Model for Grain Boundary Strengthening
Abnormal Grain Growth in Metallic Thin Films Under High Cyclic Loading
An Atomistic Study of the Radiation Response of Grain Boundaries in High Entropy Alloys
An Orientation-Field Phase Field Model of Grain Growth
Billion-Cycle Fatigue Endurance Enabled via Grain Boundary Stabilization
Charged Dislocations and Charged Grain Boundaries in Ionic Ceramics
Charged Domains on the Surface of a Centrosymmetric Ferroelastic Crystal
Data Analytics for Sintering Regimes Identification
Direct Nanovolumetric Investigation of Domain Walls and Grain Boundaries in Polycrystalline Functional Oxides
Direct Observation of Anisotropic Growth of Nickel Oxide Nanostructure by the Terrace-Ledge-Kink Mechanism
E-1: Effects of Al, Bi, Ce, and Ti Additions on the Microstructure of Ni-Alloyed Ductile Iron
E-2: Grains Ain't Misbehaving or Going Wild? A Spontaneous Activation of Grain Boundaries Initiating Abnormal Grain Growth!
E-3: Research of Special Boundaries in the Heat Treatment of Materials in the Two-Phase Region under Supercritical Temperature Effects
E-4: Role of Cerium on Intricacies of Deformed State and Softening Kinetics of Low Carbon Steels
E-5: Study on Interfacial Reaction and IMC Growth Kinetics in Sn-Based Lead-Free Solder Reinforced by Nickel-Coated Carbon Fiber
E-6: UO2 Grain Boundaries Interactions with Hydrogen Using Large Scale Density Functional Theory
Grain Boundary Migration in the Presence of a Liquid Phase
Grain Boundary Misorientation-Dependent Phase Transforming TiOx Polycrystals
Grain Boundary Phase Transformations in Segregated Metallic Alloys
Grain Boundary Segregation and Solute Drag in Multicomponent Alloys
Grain Boundary Segregation Behavior in Ni and Fe Based Alloys During Diffusional Creep
Identifying Subgrain Boundary Migration Behavior at Early Stage Recrystallization
In Situ TEM Strain Rate Dependence of Activation Volume in Au Ultrafine Grained Thin Films
Influence of Initial Duplex Microstructure on Solid-State Pseudo-Single Crystal Growth of CoTi2O5
Influences of Ternary Solutes on Nanocrystalline Stability
Inherent Chemical Disorder at Grain Boundaries in Complex Oxides
Local Cationic Ordering in Iron-Substituted Strontium Titanate
Machine Learning-Aided Optimization of the Flash Sintering Process
Microstructural Effects on Percolating Ionic Ceramic Granular Structures
Multi-Scale Analysis of Lath Boundary Sliding during Plastic Deformation of Lath Martensite In Low-Carbon-Steel
Multiscale Data Analytics Strategy for Sintering
Observation of Abnormal Grain Growth in 4D of Pure Ni
On the Aleatoric Uncertainty and Uncertainty Propagation in Molecular Dynamics Simulation of Grain Growth
Phase Field Data Analytics of Grain Boundary LiFePO4 Kinetics
Predicting the Structure and Transitions of Grain Boundaries in BCC Metals
Quantitative Analysis of Ca and Y Segregation Behaviors in Magnesium Aluminate Spinel
Role of Ripplocations and Ripplocation Boundaries on the Deformation of Graphite
Special Grain Boundaries in NiTi Shape Memory Alloys as Sites for Preferential Martensite Nucleation
Stabilized Grain Boundaries in CuTa Alloys and Their Resulting Properties
STEM Dynamic Observations of Grain Boundary Fracture, Diffusion and Phase Transformation in Oxides
Stressing Grain Boundaries to Change Local Properties
Surface Energy Measurements of Yttrium Oxide
The Influence of Zr on the Dewetting of Cu-Zr Alloy Thin Films
The Role of Grain Boundary Dislocations in the Deformation of Polycrystalline Materials
Thicker Amorphous Grain Boundary Complexions Lead to Increased Plasticity in Nanocrystalline Cu Alloys

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