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Multiscale simulation data for demonstrating the analogy between grain boundaries and Brownian ratchets

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DataONE2024-09-19 更新2025-08-23 收录
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We demonstrate that grain boundaries (GBs) behave as Brownian ratchets, exhibiting direction-dependent mobilities and unidirectional motion under oscillatory driving forces or cyclic thermal annealing. We observed these phenomena for nearly all non-symmetric GBs but not for symmetric ones. Our observations build upon molecular dynamics and phase-field crystal simulations for a wide range of GB types and driving forces in both bicrystal and polycrystalline microstructures. We corroborate these simulation results through in situ experimental observations. We analyze these results with a Markov chain model and explore the implications of GB ratchet behavior for materials processing and microstructure tailoring., , , # Grain Boundaries are Brownian Ratchets [https://doi.org/10.5061/dryad.0k6djhb8v](https://doi.org/10.5061/dryad.0k6djhb8v) Here, we provide the input files and the data for plotting the figures in the Main Text. ## !Update of our database! Since the acceptance and publication of our paper, our friends and colleagues are all interested in whether larger acceleration in grain growth rate through cyclic annealing can be achieved. We update the dataset to a new version with an additional set of cyclic annealing simulations indicating more robust evidence of cyclic annealing-accelerating grain growth. The additional data can be found in the folder “New_PFC_Grain_Growth_Simulation_with_Larger_Acceleration” and the details and discussion can be found in the README file in the same folder.  ## Description of the data and file structure First of all, we provide the data in each folder to reproduce the plots in all the figures (in either xlsx or csv form). Furthermore, in the current da...
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2025-08-05
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