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Meeting	MS&T24: Materials Science & Technology
Symposium	Grain Boundaries, Interfaces, and Surfaces: Fundamental Structure-Property-Performance Relationships
Presentation Title	Phase Field Data Analytics of Grain Boundary LiFePO₄ Kinetics
Author(s)	Danny Hermawan, Jarrod Lund, Edwin García
On-Site Speaker (Planned)	Danny Hermawan
Abstract Scope	The properties of materials for solid state battery applications is a crucial starting point to predict its performance and reliability. In the case of cathode materials, the formation of metastable phases result in the appearance of crystalline and interfacial electrochemical states that impact the resultant power and energy density. In this paper, recent advances in thermodynamic modeling using machine learning are used to assess the impact of existing and thermodynamic models on the resultant microstructural kinetics of polycrystalline LiFePO₄ (LFP) phase separation. A unified description that captures well-established trends and currently conflicting microstructural mechanisms is proposed.

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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