Development and validation of a ReaxFF reactive force field for Fe/Al/Ni alloys: Molecular dynamics study of elastic constants, diffusion, and segregation

Yun Kyung Shin, Hyunwook Kwak, Chenyu Zou, Alex V. Vasenkov, Adri C.T. Van Duin

Research output: Contribution to journal › Article › peer-review

77 Scopus citations

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Material Science