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Self-diffusion coefficients in CaO-Al2O3-SiO2 melts: a high-throughput molecular dynamics approach - simulation scripts

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https://data.mendeley.com/datasets/gkcjjk744s
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资源简介:
This dataset contains the LAMMPS files, as well as the MATLAB scripts used for the generation and post-processing of the results presented in the paper "Self-diffusion coefficients in CaO-Al2O3-SiO2 melts: a high-throughput molecular dynamics approach", Héléna Verbeeck, Inge Bellemans, and Nele Moelans. DOI: https://doi.org/10.1016/j.matdes.2026.115709 More information on the content of the scripts can be found in the README.txt files in each folder.
创建时间:
2026-02-26
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