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String probability dataset of Al-Sm glasses

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DataCite Commons2023-09-26 更新2024-08-18 收录
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https://figshare.com/articles/dataset/String_probability_dataset_of_Al-Sm_glasses/24196659
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** About this dataset:This dataset is established based on the iso-configurational ensemble simulations of Al90Sm10 metallic glasses. There are a total of 71 independent Al90Sm10 samples: 40 glass samples are quenched to and relaxed at 400 K (folder "400K").31 glass samples undergo a similar process quenched to and relaxed at 500 K (folder "500K"). Additional details, including the train_val_test_splits used in the paper, can be found in "Readme.txt".<br>** Files of each sample directory:[data.dump]The glass configuration in the format of LAMMPS dump. Atom type 1 is for Al, 2 is for Sm.<br>[string_probability.csv]The string probability data of each glass configuration.The columns are ["source_id", "final_id", "atom_types", "string_probability"]:"source_id": the source id of the string."final_id": the final id of the string. For example, if source_id is 103 and final_id is 107, this indicates a string segment as 103 --&gt; 107."atom_types": (atom type of source_id, atom type of final_id). For example, (1, 1) represents (Al, Al)."string_probability": the probability of each string segment emerging during the iso-configurational ensemble simulations (a total of 170 runs).<br>** Citation:Qi Wang*, Long-Fei Zhang, Hai-Bin Yu*. To be determined.
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figshare
创建时间:
2023-09-26
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