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A Molecular Dynamics Study of Partitionless Solidification and Melting of Al–Cu Alloys

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Title: A Molecular Dynamics Study of Partitionless Solidification and Melting of Al–Cu Alloys
Authors: Deb Nath, Sankar Kumar Browse this author
Shibuta, Yasushi Browse this author
Ohno, Munekazu Browse this author →KAKEN DB
Takaki, Tomohiro Browse this author
Mohri, Tetsuo Browse this author
Keywords: molecular dynamics simulation
Al-Cu alloys
kinetic coefficient
solid-liquid interfacial velocity
Issue Date: 15-Oct-2017
Publisher: Iron and Steel Institute of Japan
Journal Title: ISIJ International
Volume: 57
Issue: 10
Start Page: 1774
End Page: 1779
Publisher DOI: 10.2355/isijinternational.ISIJINT-2017-221
Abstract: The partitionless solidification and melting in Al–Cu alloy system are investigated by means of molecular dynamics simulations with an embedded atom method (EAM) potential. The solid-liquid interfacial velocity for solid-liquid biphasic systems of Al-rich alloys is examined with respect to temperature and Cu composition. The kinetic coefficient is then derived from the slope of the interfacial velocity with respect to temperature. Our results show that the kinetic coefficient is largely dependent on the Cu composition. It sharply decreases with addition of small amount of Cu. There is almost no partition at the solid-liquid interface within the time scale of the simulation since the solid-liquid interfacial velocity is very fast at temperatures away from the equilibrium temperature. Since it is not straightforward to measure the kinetic coefficient directly from experiments, it is significant in this study to derive the composition dependence of the kinetic coefficient for binary alloys directly from the MD simulation without any phenomenological parameters.
Rights: 著作権は日本鉄鋼協会にある
Type: article
Appears in Collections:工学院・工学研究院 (Graduate School of Engineering / Faculty of Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 大野 宗一

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