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 journalArticlepeer-review

41 Scopus citations

Fingerprint Dive into the research topics of 'Development and validation of a ReaxFF reactive force field for Fe/Al/Ni alloys: Molecular dynamics study of elastic constants, diffusion, and segregation'. Together they form a unique fingerprint.

Chemical Compounds

Physics & Astronomy