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A Molecular Dynamics Study of Partitionless Solidification and Melting of Al–Cu Alloys
| 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 |
| URI: | http://hdl.handle.net/2115/75395 |
| 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)
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Submitter: 大野 宗一
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