Development and Validation of a ReaxFF Reactive Force Field for Fe/Al/Ni Alloys: Molecular Dynamics Study of Elastic Constants, Diffusion, and Segregation

✍ Scribed by Shin, Yun Kyung; Kwak, Hyunwook; Zou, Chenyu; Vasenkov, Alex V.; van Duin, Adri C. T.

• Book ID: 120012653
• Publisher: American Chemical Society
• Year: 2012
• Tongue: English
• Weight: 681 KB
• Volume: 116
• Category: Article
• ISSN: 1089-5639
• DOI: 10.1021/jp308507x