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Re Enhancement Effects: Development of a Reaxffnialre Reactive Force Field for Ni-Based Superalloys

Wan Du, Xue Fan,Bin Xiao,Junxi Sun, Qingqing Wang,Yuchao Tang, Limin Zhang,William A. Goddard,Yi Liu

ACTA MATERIALIA(2025)

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关键词
Reactive force field (ReaxFF),Embedded atom method (EAM),Density functional theory (DFT),Ni-based superalloy,Rhenium (Re)
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