遇见数据集

Grain boundaries are Brownian ratchets

收藏
Zenodo2024-09-21 更新2026-05-26 收录
官方服务:

资源简介:

Phase-field crystal simulations for paper "Grain Boundaries are Brownian Ratchets" Openly available Matlab simulation files used to produce the phase-field crystal results from https://www.science.org/doi/10.1126/science.adp1516 Files are named by the corresponding figures. Figure4E_asymm_GB represents the implementation of grain boundary motion under AC temperature loading for an asymmetric GB (different initial GB positions via parameter position) Figure4E_symm_GB represents the implementation of grain boundary motion under AC temperature loading for a symmetric GB (different initial GB positions via parameter position) Figure4J_poly_constT_high represents the implementation of the coarsening of a polycrystal under constant high temperature Figure4J_poly_constT_mean represents the implementation of the coarsening of a polycrystal under constant mean temperature Figure4J_poly_constT_low represents the implementation of the coarsening of a polycrystal under constant low temperature Figure4J_poly_tLoad represents the implementation of the coarsening of a polycrystal under AC temperature load FigureS10A_tri_lattice represents the implementation of a shrinking half loop with underlying triangular symmetry (switched rotation angles via parameter switched) FigureS10B_square_lattice represents the implementation of a shrinking half loop with underlying square symmetry (switched rotation angles via parameter switched) Other simulations The remaining input files for the MD simulations, neb calculations and python codes for the Markov modellings are not included in this repository and can instead be found under https://doi.org/10.5061/dryad.0k6djhb8v Disclaimer The software is released here under the MIT license. We kindly ask to refer to/cite the related publication https://www.science.org/doi/10.1126/science.adp1516 for any usage and extension. The authors are thankful for any advice considering typos, mistakes, and/or discussions around the code/implementation or the topic of the related publication in general. Please do not hesitate to contact one of the authors, Maik Punke, via: maik.punke@tu-dresden.de

提供机构:
Zenodo
创建时间:
2024-08-14
二维码
社区交流群
二维码
科研交流群
商业服务