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The two-mode phase field crystal (PFC) method is used to calculate the phase diagram. And in this paper it is used to simulate the effects of predeformation degree and isothermal temperature on the hexagonal grain boundary evolution and on the hexagonal/square phase transition. Results show that when there is no predeformation in the initial phase, the grain boundary defect causes the pre-melting around the melting point; predeformation increases and the interaction between deformation and defects induces the pre-melting around the melting point; and the predeformation further increases, deformation induces liquid phase and square phase simultaneously at the distortion place. The bigger the predeformation and the closer to melting point the maintained temperature, the more obvious the growth of liquid phase is; on the contrary, the square phase grows obviously. The distortion energy is released with time and the phase of grain finally becomes square phase. It can be concluded that keeping the hexagonal phase isothermal near the melting temperature, the liquid phase appears at the grain boundary or at the other defects because the predeformation leads to the increase of atom activity, thus increasing atom disorder degree. Then with the release of distortion energy, the grain phase finally transforms into an equilibrium square phase. In this way the hexagonal/square transition time is extended.
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Keywords:
- two-mode phase field crystal method /
- predeformation /
- pre-melting /
- phase transition
[1] Elder K R, Provatas N, Berry J, Stefanovic P 2007 Phys. Rev. B 75 064107
[2] Elder K R, Katakowski M, Haataja M 2001 Phys. Rev. Lett. 88 245701
[3] Zhang Q, Wang J C, Zhang Y C, Yang G C 2011 Acta Phys. Sin. 60 088104 (in Chinese) [张琪, 王锦程, 张亚从, 杨根仓 2011 60 088104]
[4] Jaatinen A, Ala-Nissila T 2010 Phys. Rev. E 82 061602
[5] Jaatinen A, Achim C V, Elder K R, Ala-Nissila T 2009 Phys. Rev. E 80 031602
[6] Wu K A, Adland A, Karma A 2010 Phys. Rev. E 81 061601
[7] Greenwood M, Provatas N, Rottler J 2010 Phys. Rev. Lett. 105 045702
[8] Greenwood M, Rottler J, Provatas N 2011 Phys. Rev. E 83 031601
[9] Elder K R, Huang Z F, Provatas N 2010 Phys. Rev. E 81 011602
[10] Goldenfeld N, Athreya P, Dantzig J A 2005 Phys. Rev. E 72 020601
[11] Gao Y J, Luo Z R, Huang C G 2013 Acta Phy. Sin. 62 050507 (in Chinese) [高英俊, 罗志荣, 黄创高 2013 62 050507]
[12] Liu Z J, Cheng X L, Yang X D, Zhang H, Cai L C 2006 Chin. Phys. 15 224
[13] Yang T, Chen Z, Zhang J, Dong W P, Wu L 2012 Chin. Phys. Lett. 29 078103
[14] Gao Y J, Luo Z R, Zhang S Y, Huang C G 2010 Acta Metall. Sin. 46 1473 (in Chinese) [高英俊, 罗志荣, 张少义, 黄创高 2010 金属学报 46 1473]
[15] Jaatinen A, Ala-Nissila T 2010 J. Phys. : Condens. Matter 22 205402
[16] Chen L Q, Shen J 1998 Comput. Phys. Commun. 108 147
[17] Hirouchi T, Takaki T, Tomita Y 2009 Comput. Mater. Sci. 44 1192
[18] Lu Y L, Mu H, Hou H X, Chen Z 2013 Acta Metall. Sin. 49 358 (in Chinese) [卢艳丽, 牧虹, 侯华欣, 陈铮 2013 金属学报 49 358]
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[1] Elder K R, Provatas N, Berry J, Stefanovic P 2007 Phys. Rev. B 75 064107
[2] Elder K R, Katakowski M, Haataja M 2001 Phys. Rev. Lett. 88 245701
[3] Zhang Q, Wang J C, Zhang Y C, Yang G C 2011 Acta Phys. Sin. 60 088104 (in Chinese) [张琪, 王锦程, 张亚从, 杨根仓 2011 60 088104]
[4] Jaatinen A, Ala-Nissila T 2010 Phys. Rev. E 82 061602
[5] Jaatinen A, Achim C V, Elder K R, Ala-Nissila T 2009 Phys. Rev. E 80 031602
[6] Wu K A, Adland A, Karma A 2010 Phys. Rev. E 81 061601
[7] Greenwood M, Provatas N, Rottler J 2010 Phys. Rev. Lett. 105 045702
[8] Greenwood M, Rottler J, Provatas N 2011 Phys. Rev. E 83 031601
[9] Elder K R, Huang Z F, Provatas N 2010 Phys. Rev. E 81 011602
[10] Goldenfeld N, Athreya P, Dantzig J A 2005 Phys. Rev. E 72 020601
[11] Gao Y J, Luo Z R, Huang C G 2013 Acta Phy. Sin. 62 050507 (in Chinese) [高英俊, 罗志荣, 黄创高 2013 62 050507]
[12] Liu Z J, Cheng X L, Yang X D, Zhang H, Cai L C 2006 Chin. Phys. 15 224
[13] Yang T, Chen Z, Zhang J, Dong W P, Wu L 2012 Chin. Phys. Lett. 29 078103
[14] Gao Y J, Luo Z R, Zhang S Y, Huang C G 2010 Acta Metall. Sin. 46 1473 (in Chinese) [高英俊, 罗志荣, 张少义, 黄创高 2010 金属学报 46 1473]
[15] Jaatinen A, Ala-Nissila T 2010 J. Phys. : Condens. Matter 22 205402
[16] Chen L Q, Shen J 1998 Comput. Phys. Commun. 108 147
[17] Hirouchi T, Takaki T, Tomita Y 2009 Comput. Mater. Sci. 44 1192
[18] Lu Y L, Mu H, Hou H X, Chen Z 2013 Acta Metall. Sin. 49 358 (in Chinese) [卢艳丽, 牧虹, 侯华欣, 陈铮 2013 金属学报 49 358]
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