Up-Hill Diffusion of Phase-Separated FeCu Melt by Molecular Dynamics Simulation
Molecular dynamics simulation is performed to characterize the concentration fluctuation of FeCu melts during the liquid-liquid phase separation process, which undergoes the following stages： the formation of interconnected structure and its coarsening, migration and coagulation of droplets driven b...
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| Published in | Chinese physics letters Vol. 34; no. 2; pp. 71 - 75 |
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| Main Author | |
| Format | Journal Article |
| Language | English |
| Published |
01.02.2017
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| Online Access | Get full text |
| ISSN | 0256-307X 1741-3540 |
| DOI | 10.1088/0256-307X/34/2/026401 |
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| Abstract | Molecular dynamics simulation is performed to characterize the concentration fluctuation of FeCu melts during the liquid-liquid phase separation process, which undergoes the following stages： the formation of interconnected structure and its coarsening, migration and coagulation of droplets driven by the decreasing of potential energy. The up-hill diffusion happens at the early relaxation period in which Cu atoms in Fe-rich region are forced to move toward Cu-rich region by spinodal decomposition with 90~ Cu content in Cu-rich region and 95~o Fe content in Fe-rich region at temperature of 1500K. The higher diffusion rate of homogeneous atom can be observed at lower temperature, which is attributed to the larger potential energy difference between Cu-rich region and Fe-rich region. It also exhibits energy heterogeneity in the separated liquid. The domain size decreases sharply during the aggregation and coarsening of droplets, after that it keeps unchanged until the coagulation of droplets begins. The studies characterize concentration and energy heterogeneity of phase-separated liquid on the atomic scale. |
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| AbstractList | Molecular dynamics simulation is performed to characterize the concentration fluctuation of FeCu melts during the liquid-liquid phase separation process, which undergoes the following stages： the formation of interconnected structure and its coarsening, migration and coagulation of droplets driven by the decreasing of potential energy. The up-hill diffusion happens at the early relaxation period in which Cu atoms in Fe-rich region are forced to move toward Cu-rich region by spinodal decomposition with 90~ Cu content in Cu-rich region and 95~o Fe content in Fe-rich region at temperature of 1500K. The higher diffusion rate of homogeneous atom can be observed at lower temperature, which is attributed to the larger potential energy difference between Cu-rich region and Fe-rich region. It also exhibits energy heterogeneity in the separated liquid. The domain size decreases sharply during the aggregation and coarsening of droplets, after that it keeps unchanged until the coagulation of droplets begins. The studies characterize concentration and energy heterogeneity of phase-separated liquid on the atomic scale. |
| Author | 崔文超 彭传校 程昀 宋凯凯 李雪莲 张振庭 袁胜忠 王丽 |
| AuthorAffiliation | School of Mechanical ＆ Electrical and Information Engineering, Shandong University, Weihai 264209 |
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| Cites_doi | 10.1016/S1359-6454(99)00165-2 10.1103/PhysRevLett.100.075501 10.1103/PhysRevLett.94.205501 10.1016/j.pmatsci.2013.04.002 10.1016/j.intermet.2011.12.021 10.1080/14786430903299824 10.1016/j.mser.2013.04.001 10.1016/j.scriptamat.2003.10.024 10.1126/science.1073050 10.1007/s11434-011-4739-x 10.1007/BF02586210 10.1016/j.actamat.2012.12.031 10.1016/j.jallcom.2014.07.022 10.1007/s11661-004-0298-y 10.1016/j.actamat.2011.01.020 10.1016/j.scriptamat.2009.01.032 10.1016/j.actamat.2010.06.017 10.1007/s11661-011-1050-z 10.1016/j.actamat.2009.10.032 10.1016/j.jallcom.2010.02.064 10.1557/mrs2007.121 |
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| Notes | 11-1959/O4 Molecular dynamics simulation is performed to characterize the concentration fluctuation of FeCu melts during the liquid-liquid phase separation process, which undergoes the following stages： the formation of interconnected structure and its coarsening, migration and coagulation of droplets driven by the decreasing of potential energy. The up-hill diffusion happens at the early relaxation period in which Cu atoms in Fe-rich region are forced to move toward Cu-rich region by spinodal decomposition with 90~ Cu content in Cu-rich region and 95~o Fe content in Fe-rich region at temperature of 1500K. The higher diffusion rate of homogeneous atom can be observed at lower temperature, which is attributed to the larger potential energy difference between Cu-rich region and Fe-rich region. It also exhibits energy heterogeneity in the separated liquid. The domain size decreases sharply during the aggregation and coarsening of droplets, after that it keeps unchanged until the coagulation of droplets begins. The studies characterize concentration and energy heterogeneity of phase-separated liquid on the atomic scale. Wen-Chao Cui, Chuan-Xiao Peng, Yun Cheng, Kai-Kai Song,Xue-Lian Li, Zhen-Ting Zhang, Sheng-Zhong Yuan, Li Wang （ School of Mechanical ＆ Electrical and Information Engineering, Shandong University, Weihai 264209） |
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| References | 11 22 12 23 13 14 Fang T (20) 2012; 24 15 17 Ren Q (16) 2012; 61 18 19 1 2 3 4 5 6 7 8 9 10 21 |
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| Title | Up-Hill Diffusion of Phase-Separated FeCu Melt by Molecular Dynamics Simulation |
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