Statistics of grain growth: experiment versus the Phase-Field-Crystal and Mullins models

Abstract

We present a detailed comparison of multiple statistical grain metrics for previously reported experimental thin film samples of aluminum with 2D simulations obtained from the Phase-Field-Crystal (PFC) model and a Mullins grain boundary motion model. For all these results, ``universality'' is observed with respect to the dynamics and initial conditions. This comparison reveals that PFC reproduces geometric metrics such as area and perimeter, but does not capture grain shape and topology as accurately. Similarly, the Mullins model captures the number of sides distribution quite well but not other metrics. Our collective comparison of such measurements underscores the critical importance of the use of multiple metrics for comparison of experiments with all present and future models of grain growth in polycrystalline materials.

17 pages, 6 figures

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• Relative Grain Boundary Energies from Triple Junction Geometry: Limitations to Assuming the Herring Condition in Nanocrystalline Thin Films
• A crystal symmetry-invariant Kobayashi--Warren--Carter grain boundary model and its implementation using a thresholding algorithm
• Magnetically induced/enhanced coarsening in thin films
• Microscopic Patterns in the 2D Phase-Field-Crystal Model