String probability dataset of Al-Sm glasses
收藏DataCite Commons2025-04-01 更新2024-08-19 收录
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https://figshare.com/articles/dataset/String_probability_dataset_of_Al-Sm_glasses/24995903/1
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<b>** About this dataset:</b>This dataset is established based on the iso-configurational ensemble simulations of Al90Sm10 metallic glasses.There are a total of 61 independent Al90Sm10 samples that are quenched to and relaxed at 400 K.Additional details, including the train/val/test splits used in the paper, can be found in "Readme.txt".<br><b>** Files of each sample directory:</b>[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-like motion (SLM) 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 --> 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><b>** Citation:</b>Qi Wang*, Long-Fei Zhang, Zhen-Ya Zhou, Hai-Bin Yu*. To be determined.
提供机构:
figshare
创建时间:
2024-01-14



