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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Advances in Titanium Technology
Presentation Title Twin Interface Structures and Fault-energetics in HCP Materials
Author(s) Gorkem Gengor, Ahmed Sameer Khan Mohammed, Huseyin Sehitoglu
On-Site Speaker (Planned) Gorkem Gengor
Abstract Scope Twinning is a prominent deformation-mode in Hexagonal-Close-Packed (HCP) materials. Knowledge of energy-barriers of nucleation and migration is essential to predict twinning-onset and consequent mechanical-response. This study calculates energy-barriers for {101 ̅2} and {112 ̅1} twins in HCP materials such as Ti. These barriers have remained elusive due to ambiguity in understanding of the structure and twinning mechanism, caused by the complex crystallography of these planes. The equilibrium Twin-Boundary (TB) structure is established by defining and determining a lattice-offset through ab-initio Density Functional Theory (DFT) calculations. The lattice-offset specifies the relative position of twin- and matrix-phase lattices, and the offset minimizing the TB-energy is established. This offset leads to determination of the twinning-mechanism clarifying the shear-shuffle partition. The determined mechanism informs the calculation of the Generalized Planar Fault Energy (GPFE) landscape. To the best of our knowledge, the GPFE for these modes is calculated for the first time in literature.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Computational Materials Science & Engineering, Titanium

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Holistic Approach to Low-cost Ti
A Microstructure-informed Crystal Plasticity Based Constitutive Model for DED Ti6Al4V Alloy
Additive Manufacturing of Ti-Nb-Ta-Zr Beta Ti-Alloys
Additive Manufacturing of Titanium – Boron Carbide In situ Composites
Adiabatic Heating and Phase Transformation in Serrated Chips of Ti-6Al-4V during Turning
Atomistic Molecular Dynamics Simulations of Crack Tip Behavior in alpha-Ti
Caracterisation of the Microstructure and the Plastic Deformation in Ti-6al-4v Produced via Directed Energy Deposition
Combined Modeling-Experimental Approach for Investigating Hydrogenation of Titanium
Computational Studies of Deformation Twinning in Metastable Titanium Alloys
Cottrell Atmospheres around Screw Dislocations in alpha-Ti Alloys
Deformation Micromechanisms Observed in Binary Beta Ti Alloys Using TEM In Situ Tensile Tests
Design of Compositionally Modulated Ti-Alloys for Novel Microstructures and Exceptional Properties
Development of a Digital Twin for Characterisation of Titanium Alloy Microstructural Features Employing In-Process Machining Data
Effect of Loading Rate and Applied Potential on the Environment-assisted Cracking Behavior of ST/A Beta-C Titanium Exposed to Marine Environments
Effect of Macrozone Placement on Cracking in Bimodal Ti-6Al-4V
Effect of the Vibratory Peening Parameters on Surface Properties of Ti-6Al-4V
Effect of Volumetric Defects on the Fatigue Behavior of Laser Powder Bed Fused Ti-6Al-4V
Effects of Short-time Solution Treatment and Subsequent Short-time Annealing on the Microstructure and Deformation Behavior of Ti-6Al-4V Sheet Metal
Exploration of Young’s Modulus and Acoustic Velocity Variation in Ti-5Al-5V-5Mo-3Cr Metastable Phase Transitions
Exploring the Potential of Ti-Fe-X Systems for Design of Novel Titanium-based Superalloys
Grand Canonical Optimization of Grain Boundary Structure in Hexagonal Close-packed Titanium
High Strain Rate Deformation in Metastable β-Titanium Alloys: A Case Study of Ti-1023
Improvement of Mechanical Properties of Pure Ti by Combined Process of Multi-directional Forging and Conventional Thermo-mechanical Processing
In-situ Observation of Twinning Pathways in TRIP/TWIP Ti-12Mo Alloy
Interface and Colony Boundary Sliding as a Deformation Mechanism in Titanium Alloys
Investigation of Fine-scaled Alpha Microstructure in Metastable Beta Titanium Alloys
Investigation of Grain Boundary Precipitation in Titanium Alloys using 3D Computational Simulation and Experimental Characterization
Investigation to Density and Metallurgical Characteristics of Selective Laser Melted Ti-5Al-5V-5Mo-3Cr Vs. Ti-6Al-4V
Kinetically Induced Fine Secondary α-Ti phase Formation in a Novel As-cast Titanium Alloy
M-1: Development of a TWIP/TRIP Titanium Alloy
M-27: Investigation of Complex Microstructure in Selective Laser Melted Near Alpha Titanium Alloy Using Scanning Electron Microscopy
M-2: Effect of Micro-texture Regions on the Creep Behavior of Rolled Ti-64 with Small-scale Cantilever Bending
M-3: Numerical Analysis of Oxide Growth and Oxygen Dissolution during High-temperature Oxidation of Ti–Al Alloys
Mechanical, Thermal Conductive and Anti-wear Properties Improvement in Titanium Matrix Composites Reinforced with Graphene Nanosheets
Mechanisms of Grain Boundary α Precipitation in the Metastable β-Titanium Ti-5Al-5Mo-5V-3Cr
Nanoindentation Properties Evolution of Titanium with Different Oxygen Contents
New Insights into Oxygen-rich Alpha Titanium Alloys for Structural Applications
On the Heterogeneous and Cooperative Deformation in High-strength (α+β) Titanium Alloys
On the Relationships between Twinning and Stress-induced Martensite in Superelastic Beta Titanium Alloys
Pathways to Engineer High Strength Coupled with High Strain Hardenability and Ductility in Metastable β-Titanium Alloys
Phase Transformation Behavior during Ultrasonic Welding of Pure Ti Sheets with Fe Interlayer
Reorientation Induced Plasticity (RIP) in High-strength Titanium Alloys: An Insight into Underlying Mechanisms and Resulting Mechanical Properties
Stress Induced Martensitic Transformation and Twinning in Beta Titanium Alloys with Increased Oxygen Content
Suppression of ω-phase Formation in Prototypical Metastable β-Ti Alloys
Systematic Review of the Synthesis of Titanium Oxide Nanoparticles via Plant Mediated Green Approach
The Effect of Dilute Si/Nb Alloying on High-temperature Oxidation of Titanium
The Effects of Fe and Al Additions on the Microstructure and Mechanical Property Evolution of Ti-11at.%Cr Alloys
Ti Alloy Wire Fabrication from Waste and Out-of-Specification Particulates
Titanium Metal Matrix Composite Formation in Ternary and Quaternary Compositions and Amenability to Laser Powder Bed Fusion Techniques
Towards a Single Crack Nucleation Mechanism Involving Basal Twist Grain Boundaries in Ti Alloys
Transformation-mediated Twin Nucleation and the Temperature Dependence in Hexagonal Close-packed Metals
Tuning the Reversibility of Stress-induced Martensitic Transformation in β-metastable Titanium Alloys by Low Temperature Heat Treatment
Twin Interface Structures and Fault-energetics in HCP Materials
Understanding the Effect of Process Variables on Melt Pool Dynamics and Solidification Kinetics during Laser Spot Melting of Ti-6Al-4V Alloy Using In-situ Dynamic Synchrotron X-ray Radiography
Understanding the Role of Dual-phase Interface on the Alpha Precipitation in Metastable Beta Titanium Alloy

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