Chin. Phys. Lett.  2017, Vol. 34 Issue (2): 026401    DOI: 10.1088/0256-307X/34/2/026401
CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
Up-Hill Diffusion of Phase-Separated FeCu Melt by Molecular Dynamics Simulation
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
Download: PDF(891KB)   PDF(mobile)(889KB)   HTML
Export: BibTeX | EndNote | Reference Manager | ProCite | RefWorks
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% Fe content in Fe-rich region at temperature of 1500 K. 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.
Received: 06 October 2016      Published: 25 January 2017
PACS:  64.75.Gh (Phase separation and segregation in model systems (hard spheres, Lennard-Jones, etc.))  
  65.20.-w (Thermal properties of liquids)  
  66.10.cd (Thermal diffusion and diffusive energy transport)  
Fund: Supported by the National Natural Science Foundation of China under Grant No 51371108, 51501104 and 51501103.
TRENDMD:   
Cite this article:   
Wen-Chao Cui, Chuan-Xiao Peng, Yun Cheng et al  2017 Chin. Phys. Lett. 34 026401
URL:  
http://cpl.iphy.ac.cn/10.1088/0256-307X/34/2/026401       OR      http://cpl.iphy.ac.cn/Y2017/V34/I2/026401
Service
E-mail this article
E-mail Alert
RSS
Articles by authors
Wen-Chao Cui
Chuan-Xiao Peng
Yun Cheng
Kai-Kai Song
Xue-Lian Li
Zhen-Ting Zhang
Sheng-Zhong Yuan
Li Wang
[1]Chen L Y, Fu Z D, Zhang G Q, Hao X P, Jiang Q K, Wang X D, Cao Q P, Franz H, Liu Y G, Xie H S, Zhang S L, Wang B Y, Zeng Y W and Jiang J Z 2008 Phys. Rev. Lett. 100 075501
[2]Zhu Z W, Gu L, Xie G Q, Zhang W, Inoue A, Zhang H F and Hu Z Q 2011 Acta Mater. 59 2814
[3]Das J, Tang M B, Kim K B, Theissmann R, Baier F, Wang W H and Eckert J 2005 Phys. Rev. Lett. 94 205501
[4]Zhao J X, Wu F F, Qu R T, Li S X and Zhang Z F 2010 Acta Mater. 58 5420
[5]Cao Q P, Liu J W, Yang K J, Xu F, Yao Z Q, Minkow A, Fecht H J, Ivanisenko J, Chen L Y, Wang X D, Qu S X and Jiang J Z 2010 Acta Mater. 58 1276
[6]Kim D H, Kim W T, Park E S, Mattern N and Eckert J 2013 Prog. Mater. Sci. 58 1103
[7]Park J M, Han J H, Mattern N, Kim D H and Eckert J 2012 Metall. Mater. Trans. A 43 2598
[8]Pan J, Liu L and Chan K C 2009 Scr. Mater. 60 822
[9]Pan J, Chan K C, Chen Q, Li N, Guo S F and Liu L 2010 J. Alloys Compd. 504 S74
[10]Greer A L and Ma E 2007 MRS Bull. 32 611
[11]Greer A L, Cheng Y Q and Ma E 2013 Mater. Sci. Eng. R Rep. 74 71
[12]Sohn S W, Yook W, Kim W T and Kim D H 2012 Intermetallics 23 57
[13]Wang C P, Liu X J, Ohnuma I, Kainuma R and Ishida K 2002 Science 297 990
[14]Wilde G and Perepezko J H 1999 Acta Mater. 47 3009
[15]Curiotto S, Pryds N H, Johnson E and Battezzati L 2006 Metall. Mater. Trans. A 37 2361
[16]Ren Q, Wang N, Zhang L, Wang J Y, Zheng Y P and Yao W J 2012 Acta Phys. Sin. 61 196401 (in Chinese)
[17]Zhao J Z and Ratke L 2004 Scr. Mater. 50 543
[18]He J, Mattem N, Tan J, Zhao J Z, Kaban I, Wang Z, Ratke L, Kim D H, Kim W T and Eckert J 2013 Acta Mater. 61 2102
[19]Wang C P, Liu X J, Takaku Y, Ohnuma I, Kainuma R and Ishida K 2004 Metall. Mater. Trans. A 35 1243
[20]Fang T, Wang L, Peng C X and Qi Y 2012 J. Phys.: Condens. Matter 24 505103
[21]Wang H P and Wei B B 2011 Chin. Sci. Bull. 56 3416
[22]Qi Y, Wang L, Wang S H, Li X L and Cui W C 2014 J. Alloys Compd. 615 962
[23]Bonny G, Pasianot R C, Castin N and Malerba L 2009 Philos. Mag. 89 3531
Viewed
Full text


Abstract