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Meeting MS&T23: Materials Science & Technology
Symposium Integration between Modeling and Experiments for Crystalline Metals: From Atomistic to Macroscopic Scales V
Presentation Title Monte Carlo Grain Growth Simulations of Discontinuous Changes in Grain Boundary Velocity Induced by Grain Boundary Transformations
Author(s) Christopher J. Marvel, Caroline Riedel, Houliang Zhou, Ben Zalatan, Brian Chen, Martin Harmer
On-Site Speaker (Planned) Christopher J. Marvel
Abstract Scope It has been observed that grain boundaries undergo first-order transitions, resulting in discontinuous changes of grain boundary (GB) properties, particularly mobility. However, upon instant changes in GB mobility, it is unclear if there is a proportional increase in GB velocity, which more directly drives microstructure evolution. In this work, 3D Monte Carlo Potts grain growth models were completed and GB velocities were tracked in the presence of stochastic GB transitions that increased GB ‘mobility’. GB curvature was measured using the innie/outie methodology, GB velocity was quantified by tracking net voxel swapping, and discontinuous changes in GB velocity were assessed by comparing GB curvature and mobility time series. The main result was that GB velocity, on average, did not increase by a proportional level in line with mobility; thus, triple junction drag mechanisms were hypothesized to restrict appropriate changes in velocity. Further interpretation of the computational results will be discussed.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Rule-free Computational Prediction of the Slip-interface Reaction and the Subsequent Microstructure Evolution in Heterogeneous Materials under Deformation
An Investigation on the Microstructural Uncertainty in Molecular Dynamic Simulations of Polycrystalline Nickel
Assessing the Predictive Capabilities of Precipitation Strengthening Models for Deformation Twinning in Mg Alloys Using Phase-field Simulations
Coupled Crystal Plasticity and Phase-field Fracture Model for Single Crystal Plastic Deformation and Failure Prediction
Crystal Plasticity Modeling of Ti-6Al-4V Alloy under Uncertainty with Surrogate Optimization and Experimental Validation
Deformation Behavior of Lightweight Clad Sheet: Experiment and Modeling
Diffusion in Curved Grain Boundaries
Effects of Defects on Stress- and Thermally-induced Martensitic Transformation of Nanocrystalline NiTi Alloys: A Molecular Dynamics Study
From Anti-Arrhenius to Arrhenius Behavior in a Dislocation-obstacle Bypass
Hole Expansion Testing of Thin Sheet Materials at Various Strain Rates for Advanced Constitutive Model Calibration
Micromechanical Modeling of Additively Manufactured Inconel 625 Informed by in situ High-energy X-ray Diffraction
Misorientation Effects in Single Crystal Plasticity Finite Element Modeling
Monte Carlo Grain Growth Simulations of Discontinuous Changes in Grain Boundary Velocity Induced by Grain Boundary Transformations
Plastic Deformation and Failure Predictions of Al-6061 with Inhomogeneities Using Finite Element Modeling Techniques Across Different Length Scales
Prediction and Quantification of Suzuki Segregation at Stacking Faults in FCC-based Alloys and Compounds
Prediction of Forming Limits for Austenitic Stainless Steel Tubes
Quantifying the Role of Coarse Intermetallic Particles on Twinning Behavior
The Role of Plastic Anisotropy on the Reorientation Trajectories of BCC Polycrystals
Unravelling the Nucleation and Growth Mechanism of {11-22} Twin in Titanium
Validation Experiments Developed for Casting Modeling

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