|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Frontiers in Solidification Science and Engineering
||Kinetic Factor in the Nucleation Rate of Stoichiometric Compounds
||Huajing Song, Yang Sun, Feng Zhang, Cai-zhuang Wang, Kai-Ming Ho, Mikhail Mendelev
|On-Site Speaker (Planned)
Crystal nucleation from liquid has been extensively studied in the several past decades. Modern simulation techniques allow to obtain reliable data on the nucleation rate which depends on the free-energy barrier and the kinetic factor. While the role of the free energy barrier is a text-book subject the importance of the kinetic factor is frequently underestimated. In this study, we applied the mean first-passage time method, to obtain the free-energy landscape and kinetic factor directly from the molecular dynamics simulation. Comparison of the obtained results for the pure Ni and the Ni-Al B2 phase showed that while the free energy barrier for nucleation is higher in the pure Ni the nucleation rate is considerably lower for the B2 phase. Thus, it is the kinetic factor which makes the nucleation of the B2 phase difficult. We will show that this result can be explained by the decrease in the attachment rate.
||Planned: Supplemental Proceedings volume