Grain Growth Beyond Isotropic Models: Microstructure Evolution with Experimentally-Derived Interface Properties

The major goal of this project is to test the hypothesis that it is possible to predict how microstructures evolve on a grain-by-grain basis using 3D mesoscale simulations with rules for interface motion that incorporate experimentally determined interface properties. We will test this hypothesis on alpha-Fe, Ni, and SrTiO3. The project begins with the experimental observation of microstructures by near field, high energy diffraction microscopy (nf-HEDM), and then the extraction of experimental properties. From the energies and velocities, we will determine the mobilities. Combining data already in hand with data extracted from the nf-HEDM experiments, we will be able to specify both the structure and the properties needed to instantiate the phase field model for growth. Comparisons between the simulated growth and measured growth will allow us to identify properties that might not have been correctly measured or mechanisms that are not reproduced by the model. The comparison may also suggest more appropriate time and temperature annealing sequences for the experiments.

Publications

Comparison of simulated and measured grain volume changes during grain growth

X. Peng, A. Bhattacharya, S. K. Naghibzadeh, D. Kinderlehrer, R. Suter, K. Dayal, and G. S. Rohrer

3/14/2022

Energetic formulation of large‐deformation poroelasticity

M. Karimi, M. Massoudi, N. Walkington, M. Pozzi, and K. Dayal

1/10/2022

Grain boundary energies in yttria‐stabilized zirconia

S. J. Dillon, Y. Shen, and G. S. Rohrer

12/21/2021

Non-orthogonal computational grids for studying dislocation motion in phase field approaches

X. Peng, A. Hunter, I. J. Beyerlein, R. A. Lebensohn, K. Dayal, and E. Martinez

12/1/2021

Grain boundary velocity and curvature are not correlated in Ni polycrystals

A. Bhattacharya, Y. Shen, C. M. Hefferan, S. F. Li, J. Lind, R. M. Suter, C. E. Krill, and G. S. Rohrer

10/8/2021

The grain boundary stiffness and its impact on equilibrium shapes and boundary migration: Analysis of theΣ5, 7, 9, and 11 boundaries in Ni

R. D. Moore, T. Beecroft, G. S. Rohrer, C. M. Barr, E. R. Homer, K. Hattar, B. L. Boyce, and F. Abdeljawad

10/1/2021

Grain boundary energy function for α iron

R. Sarochawikasit, C. Wang, P. Kumam, H. Beladi, T. Okita, G. S. Rohrer, and S. Ratanaphan

9/1/2021

Surface growth in deformable solids using an Eulerian formulation

S. K. Naghibzadeh, N. Walkington, and K. Dayal

9/1/2021

Anomalous strain-energy-driven macroscale translation of grains during nonisothermal annealing

M. J. Higgins, J. Kang, G. Huang, D. Montiel, N. Lu, H. Liu, Y. Shen, P. Staublin, J. -. Park, J. D. Almer, P. Kenesei, P. G. Sanders, R. M. Suter, K. Thornton, and A. J. Shahani

7/21/2021

Effective response of heterogeneous materials using the recursive projection method

X. Peng, D. Nepal, and K. Dayal

6/1/2020

Habit planes of twins in a deformed Mg alloy determined from three-dimensional microstructure analysis

F. Ram, J. T. Lloyd, and G. S. Rohrer

1/1/2020

A 3D phase field dislocation dynamics model for body-centered cubic crystals

X. Peng, N. Mathew, I. J. Beyerlein, K. Dayal, and A. Hunter

1/1/2020

Importance of outliers: A three-dimensional study of coarsening in α -phase iron

Y. Shen, S. Maddali, D. Menasche, A. Bhattacharya, G. S. Rohrer, and R. M. Suter