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About this Symposium
Meeting 2024 TMS Annual Meeting & Exhibition
Symposium Chemistry and Physics of Interfaces
Sponsorship TMS Functional Materials Division
TMS: Chemistry and Physics of Materials Committee
TMS: Thin Films and Interfaces Committee
Organizer(s) Douglas L. Medlin, Sandia National Laboratories
Eva Zarkadoula, Oak Ridge National Laboratory
Prashant Singh, Ames Laboratory
Shen J. Dillon, University of California, Irvine
Scope Understanding the chemistry and physics of interfaces is central to controlling and predicting materials behavior. While the broad importance of interfaces to materials science has long been appreciated, ongoing developments in materials modeling coupled with advances in micro- and nanoscale characterization methods, continue to yield new discoveries and insights into the elementary mechanisms by which interfaces evolve and mediate materials properties. As we learn more about interfaces, it is becoming increasingly clear that the behavior of interfaces cannot be understood solely in terms of their isolated ground-state behavior. Instead, we must also consider a diversity of stable and metastable interfacial states, the barriers between them, and their interactions with other point, line, and chemical defects.

This symposium aims to bring together experimentalists and materials theorists researching the fundamental science of interfaces in materials. The symposium will consider several different classes of interfaces, including grain boundaries, crystalline interphase boundaries, surfaces, and boundaries between crystalline and amorphous phases (including solid/liquid interfaces).

Topical areas of interest include but are not limited to:

● Mechanisms underpinning interfacial motion including grain evolution and phase transformations.

● Compositional effects, including effects on interfacial chemistry, effects on mechanisms and kinetics of phase separation, effects of alloying on interface energy, effects of strain on interfacial diffusion processes.

● Approaches to engineering and tailoring interfacial properties, linking fundamentals of interfacial structure, processing, and behavior at various length scales (e.g., tailoring dopant segregation, electronic/magnetic modulation, orientation/texture engineering).

● Response of interfaces to strain, including interactions with point defects and line defects such as dislocations, disconnections, and boundary junctions.

● Mechanisms of interfacial response and stability in extreme environments (including irradiation exposure, temperature extremes, corrosive conditions, and effects of pressure and stress in microstructure and properties).

● Advanced data science methods, particularly where the methods elucidate new foundational insight from large interfacial experimental or modeling data sets.

Abstracts Due 07/15/2023
Proceedings Plan Planned:

3D in-situ measurements of stress-induced twin and martensitic phase interfaces using X-ray topotomography and dark-field X-ray microscopy
A Large-Scale Molecular Dynamics Simulation on the Stress Corrosion Cracking Mechanism of Dual-Phase Polycrystalline High-Entropy Alloys
An Atomistic Study of the Radiation Resistance of Grain Boundaries in High Entropy Alloys
An In-situ Transmission Electron Microscopy Study of Phase Stability in Fe-W Crystalline-Amorphous Nanomultilayers
Back and Forth are Not the Same: the migration of typical grain boundaries
Comparison of Grain Boundary Descriptors
Compositional and Interfacial Effects on Stabilization of BCT Phase in Electron-Beam Welded Low-Alloy Steel
Computational Modeling of Grain Boundary Segregation
Consequences of the Solute Vibrational Contribution in Grain Boundary Segregation
Design and Characterization of Novel Nanomaterial for Potential in Enhanced Oil Recovery
Determining inter-diffusion coefficients through atomistic simulation of diffusion multiples
Dislocation descriptions for grain boundary junctions
Effect of the welding current on the liquid metal embrittlement in the resistance spot welded galvanized DP1180 advanced high strength steel
Efficient method for investigating the energy anisotropy and faceting in cylindrical grain boundaries
Energetic, focused, beam-induced surface chemistry: a nanofabrication perspective
Environmentally-induced Degradation of Friction in Molybdenum Disulfide Films
Friction and Wear Characterization of Carbon Composites for Continuous Electric-Field Assisted Sintering
Frictional Molecular Dynamics Simulations of the TiO2/SiO2 Passive Films toward the improvement of Oxidation Resistance of MoSiBTiC Alloy
Fundamental corrosion mechanisms at the Mg-water interface: An ab initio approach
Grain Boundary Chemistry and Electrical Potential in BaTiO3
Grain boundary doping and precipitation to enhance nanostructured materials
Influence of grain boundary chemistry on hydrogen embrittlement and high temperature water corrosion of stainless steels
Insight into cobalt segregation in aluminum grain boundaries spanning the 5D space
Machine Learning Meets Interface Physics: A Case Study of Grain Boundary Solute Segregation
Mechanistic-Design of Multilayered Nanolaminates: Hierarchical Metal-MAX Materials for Tunable Strength and Toughness
Molecular Dynamics Study on Tribochemical Reaction Mechanism of Zinc Dialkyl Dithiophosphate Lubricant Additives at Steel Sliding Interface
Multiscale simulations of grain boundary segregation of hydrogen and its impacts on grain boundary dynamics
On the Structure and Properties of the Spinel/Corundum Interface
Pattern Formation of Grain Boundary Phases
Prediction of Solute Segregation at Metal/Oxide Interfaces Using Machine Learning Approach
Propagation of microstructural uncertainty in Molecular Dynamic simulations of grain growth and comparison with experiment data
Radiation Induced Steady State Grain Boundary Structures and Their Dynamics
Reactive molecular dynamics simulations clarifying the effect of carbon nanotube (CNT) defects on mechanical properties of CNT/SiC composites
Revealing Line Defect Structures in Crystalline Interfaces
Revealing the Cyclic Nature of Grain Boundary Microstates via Microscopy and Deep Learning
Role of Defects on the Properties of PbTe/PbSe Interfaces
Shear-punch testing and microstructural evolution of pure Cu and CuCr alloys
Stick-slip solute impairment of non-Arrhenius boundary migration in incoherent twins
Strain Accommodations and Disconnection Distributions in Nonplanar Grain Boundaries
Stress Corrosion Cracking Simulation of High Entropy Alloys by Molecular Dynamics Method based on Neural Network Potentials
Surfaces and Interfaces as Mediators of Martensitic Transformations in Structural Alloys
Systematic generation of a grain boundary database using high-throughput simulations and grand canonical optimization
The effect of grain boundary energy anisotropy and triple junctions on grain growth
The Effect of Grain Boundary Facet Junctions on Segregation and Embrittlement
The Stochastic Nature of Microstructural Evolution
Towards a statistical mechanical theory of disconnections in grain boundaries
Tribochemical Reaction of Molybdenum Dithiocarbamate Revealed by Neural Network Potential-Based Molecular Dynamics Simulations
Tribochemistry: how evolving chemistry, structure and composition dynamically change the properties of solid materials in unlubricated sliding interfaces
Understanding how modifying the thermal history influences abnormal grain growth in SrTiO3.
Universality of grain boundary phases in [111] tilt boundaries of fcc metals

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