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Replication Data for: Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials

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DataCite Commons2025-12-02 更新2026-05-07 收录
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https://darus.uni-stuttgart.de/citation?persistentId=doi:10.18419/DARUS-4480
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资源简介:
Data for the manuscript "Origin of the yield stress anomaly in L12 intermetallics unveiled with physically-informed machine-learning potentials", <a href="https://doi.org/10.1016/j.actamat.2024.120423">https://doi.org/10.1016/j.actamat.2024.120423</a>. <br> <br> This data set contains: <br> 1) the utilized moment-tensor-potentials (MTP) and the corresponding training sets; <br> 2) The atomistic structure of 2delta Kear-Wilsdorf lock (LAMMPS datafile); <br> 3) a database for the thermodynamic properties of bulk Ni3Al calculated with the utilized MTP; <br> 4) the finite-temperature Gibbs energy for four planar defects in Ni3Al with the utilized MTP.
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DaRUS
创建时间:
2024-09-13
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