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Authors
Shang, Shun-Li https://orcid.org/0000-0002-6524-8897
Gao, Michael C. https://orcid.org/0000-0002-0515-846X
Liu, Zi-Kui https://orcid.org/0000-0003-3346-3696
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Funding
Funding for this research was provided by:
U.S. Department of Energy (HPC4EI, DOE Faculty Research Program)
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Article History
Received: 1 April 2025
Accepted: 25 July 2025
First Online: 12 August 2025
Declarations
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: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.The predicted properties include ideal shear strength (τIS), stable and unstable stacking fault energies (γSF and γUS), elastic constants (cij), bulk modulus (B0), shear modules (G0), and equilibrium volume (V0).
