ProgramMaster Logo
Conference Tools for 2025 TMS Annual Meeting & Exhibition
Login
Register as a New User
Help
Submit An Abstract
Propose A Symposium
Presenter/Author Tools
Organizer/Editor Tools
About this Symposium
Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Chemistry and Physics of Interfaces
Sponsorship TMS Structural Materials Division
TMS: Chemistry and Physics of Materials Committee
TMS: Mechanical Behavior of Materials Committee
TMS: Thin Films and Interfaces Committee
Organizer(s) Timofey Frolov, Lawrence Livermore National Laboratory
Fadi Abdeljawad, Lehigh University
Kaila Birtsch, Los Alamos National Laboratory
Daniel Moore, Lehigh University
Christopher A. Schuh, Northwestern University
Scope Understanding the chemistry and physics of interfaces is central to controlling and predicting materials behavior. There is an increasing recognition that just like in 3D materials, complex defect microstructures can exist inside interfaces and greatly influence the properties of polycrystalline materials. Phase boundaries and grain boundaries (GBs) may contain multiple phases, networks of disconnections, and GB phase junctions. These defect interfacial microstructures could form during non-equilibrium processes such as plastic deformation, grain growth, exposure to fluxes of point defects during radiation damage, and other processes that involve changes in temperature and chemical composition.


This symposium aims to bring together experimentalists and materials theorists researching the fundamental science of interfaces in materials to understand the dynamic evolution and stability of complex interfacial defect microstructures.


Topical areas of interest include but are not limited to:

● GB structure and phase transitions

● Role of interfacial defects and phase transformations in interface migration

● GB solute segregation and diffusion

● Advanced computational methods for interface structure prediction and algorithms for automatic identification of disconnections

● Mechanical deformation of interfaces, 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).


● AI and data science methods for advanced simulations and analysis of interface structure and simulations of interface migration at longer time scales

Abstracts Due 07/15/2024
Proceedings Plan Planned:
PRESENTATIONS APPROVED FOR THIS SYMPOSIUM INCLUDE

A machine learning approach for extracting grain boundary mobilities from time-resolved grain maps
A model of thermodynamic stabilization of grain boundaries
An atomistic study of twin boundary structure and migration in tetragonal beta-Sn
Associating GB characteristics with its mobility and sink efficiency in absorbing Frank loops via molecular dynamics simulations
Atomic Cluster Expansion for accurate simulations of interfaces
Atomistic modeling of diffusivity and shearing of Al-Si phase boundaries
Atomistic Simulations for Grain Boundary Migration and Texture Evolution in Mg alloys
Complex concentrated grain boundaries and the stabilization of unexpected interfacial structures
Critical Point Ferroelectricity: Grain Boundary Complexion Transitions
Cyclical restructuring of emergent grain boundaries during polycrystalline thin film growth
Dependence of 9R Interfacial Phase Formation on Boundary Inclination at Medium Angle Grain Boundaries (MAGBs) in Au
Describe, Transform, Machine Learning: Feature Engineering for Grain Boundaries and Other Variable-Sized Atom Clusters
Diffusion Behavior at the Interface of (110) Aluminum Substrates via Molecular Dynamics Simulation
Direct atomic-scale observations of grain boundary phase and segregation transitions
Disconnection Mobility and Grain Boundary Doping
Dislocation Pattern and Motion Mechanisms of Twist Grain Boundaries in High-Entropy Alloys
Do we need non-steady-state interfacial kinetic models?
Elemental segregation and cohesion in ferritic iron grain boundaries: a first principles perspective
ENERGETICS OF DISCONNECTION NUCLEATION AND GLIDE IN SYMMETRIC TILT GRAIN BOUNDARIES
Everything is not affine: How non-affine transformations enable a new state of crystalline interfacial coherency
Examining the Interactions of Crack Tips with Disconnections in Copper Twin Boundaries
Exploring the analogy between grain boundaries and Brownian ratchets
Exploring Trends of Computed Grain Boundary Properties Within the EAM Space
Grain Boundaries in NiTi Shape Memory Alloys as Host Sites for Martensite Nuclei
Grain boundary diffusion: interplay of segregation, precipitation and interface structures
Grain boundary property distributions resulting from coarsening of an Al-Cu alloy
Grain Boundary Segregation and Solute Drag in Multicomponent Alloys
Grand canonical diffusion model for crystalline phases and grain boundaries
Impact of Thermal Gradient on Interfacial Energy and its Anisotropy in Al-Cu Alloy
Influence of irradiation damage on the mechanical properties and stability of grain boundaries in ultrafine-grained gold thin films
Interface energy and structure anisotropy of coherent heterophase interfaces
Interfaces in Oxides
Interfacial process underlying the environment-dependent friction on calcite single crystals
Interplay between dislocation type and local structure in dislocation-twin boundary reactions in Cu
Investigation of the Effect of Cr2O3 Content on the Surface Tension of Chromium-Containing High-Titanium Blast Furnace Slag
Localized corrosion of Ni-Cr-Fe-Cu alloys caused by Cu segregation-induced Cr depletion of grain boundaries: theoretical and experimental study
Machine Learning Guided Prediction of Solute Segregation at Metal/Oxide Interfaces
Mechanical properties of monolithic transition metal borides after extended high temperature oxidation
Mechanisms of Non-Arrhenius Grain Boundary Motion: A Study of Activation Energy Distributions and Atomic Processes
Mesoscale mechanics of grain boundary disconnections and shear coupling
Metastable defect phase diagrams as a roadmap for defect and materials design
Modification of Defects Dynamics in Ga(Al)As Heterostructures by Photo-doping
Molecular Dynamics and Machine Learning Investigation of Segregation Effects on the Mechanical Behavior of Σ5 Cu-Ag Grain Boundaries
On the Origin of Finite-size Effects in Atomistic Simulations of Grain Boundary Migration
Optimizing Grain Boundary Structures with LAMMPS using Evolutionary Algorithms
Phase-Field Modeling of Woven Carbon Fiber Oxidation
Preparation of Ti-Al-Si alloys by thermal reduction of TiO2-SiO2 with aluminum and study of their properties
Realistic Interface Thermodynamics with Grand Canonical Monte Carlo
Shifting of failure patterns in Aluminium-Magnesium alloy incorporated with faceted grain boundary: An atomistic-scale investigation
Solute Segregation in Grain Boundaries of NiCoCr: An Atomistic Study
Stabilization of polycrystalline alloys by solute segregation
Structural Transitions in Grain Boundaries and the Role of Line Defects
Structure, Energetics and Kinetic Properties of Crystal-Melt Interfaces in Salts
Tailoring the microstate thresholds of grain boundaries using compositional complexity
The driving force for grain boundary migration in polycrystals
The enumeration of grain boundary microstates
The influence of lattice distortions from applied stresses on functional properties of shape memory materials
Tracking the microstructure evolution of Ni polycrystals
Triple Junction Interstitial Solute Segregation in Nanocrystalline Alloys
Using Bernal Hole Analysis to Understand the Experimentally Observed Grain Boundaries of Aluminum
Vacancy segregation to grain boundaries in diamond


Questions about ProgramMaster? Contact programming@programmaster.org