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Bayesian inference of solid-liquid interfacial properties out of equilibrium
| Title: | Bayesian inference of solid-liquid interfacial properties out of equilibrium |
| Authors: | Ohno, Munekazu Browse this author →KAKEN DB | | Oka, Yukimi Browse this author | | Sakane, Shinji Browse this author | | Shibuta, Yasushi Browse this author | | Takaki, Tomohiro Browse this author |
| Issue Date: | 18-May-2020 |
| Publisher: | American Physical Society (APS) |
| Journal Title: | Physical Review E |
| Volume: | 101 |
| Issue: | 5 |
| Start Page: | 052121 |
| Publisher DOI: | 10.1103/PhysRevE.101.052121 |
| Abstract: | Solid-liquid interfacial properties out of equilibrium provide the essential information required for understanding and controlling solidification microstructures in metallic materials. However, few studies have attempted to reveal all interfacial properties out of equilibrium in detail. The present study proposes an approach for simultaneously estimating all interfacial properties in a pure metal below the melting point on the basis of the Bayesian inference theory. The solid-liquid interfacial energy, interfacial mobility, and anisotropy parameters in pure Fe are estimated by combining molecular dynamics simulation with phase-field simulation using an ensemble Kalman filter, which is a data assimilation technique. Furthermore, the temperature dependences of all interfacial parameters are computed and discussed. In summary, the proposed multiscale approach integrates atomistic and microstructural simulations within the framework of data science and it has considerable potential for a wide variety of applications in materials engineering. |
| Rights: | Copyright 2020 by The American Physical Society. |
| Type: | article |
| URI: | http://hdl.handle.net/2115/78573 |
| 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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