Modeling antiphase boundary energies of Ni3Al-based alloys using automated density functional theory and machine learning
Antiphase boundaries (APBs) are planar defects that play a critical role in strengthening Ni-based superalloys, and their sensitivity to alloy composition offers a flexible tuning parameter for alloy design. Here, we report a computational workflow to enable the development of sufficient data to tra...
Main Authors: | , , , , , |
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Format: | Article |
Language: | English |
Published: |
Nature Research
2022
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Subjects: | |
Online Access: | View Fulltext in Publisher |