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A “Bond-Focused” Local Atomic Environment Representation for a High Throughput Solute Interaction Spectrum Analysis: Supplemental Data

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Mendeley Data2026-04-09 收录
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Dataset of spectral grain boundary parameters, including the solvent excess grain boundary enthalpy, dilute limit segregation energy, and solute interaction energy, calculated following the procedure in the corresponding publication of the same name. Additionally, we provide the bulk interaction parameter. This data includes approximately 200 binary systems with EAM potentials available on the NIST potential repository.
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