晶粒生长演变相场法模拟界面表达的物理模型

张宪刚; 宗亚平; 王明涛; 吴艳

doi:10.7498/aps.60.068201

摘要

讨论了当前固态组织演变过程的相场法模拟模型,论证了相场法中界面的概念以及模型中界面的各种处理方法,以AZ31镁合金再结晶系统为例,研究了模型参数取值对界面特征的影响,提出了晶界作用域的概念,阐述了晶界作用域就是相场模型中界面处有序化变量的变化范围,其物理意义是界面能量的分布范围,并对应于成分界面偏析的范围.模拟得出,晶界作用域宽度主要由梯度项系数决定,晶界能则由梯度项系数和耦合项系数共同决定.对于AZ31镁合金,模拟研究了晶界作用域宽度取值的合理性和对显微组织影响的关系,得出取值为1.18 μm时,模拟符

关键词:

Abstract

Grain boundary model in phase-field simulation during microstructure evolution in solid states is discussed based on the way to express grain boundary and its physical background. The effects of different values of simulation parameters on feature of grain boundary in the phase field model are investigated systematically and a new conception of grain boundary range is suggested based on the simulation results of recrystallization of AZ31 magnesium alloy. The gradient range of the order parameter expresses the boundary range, whose physical meaning is found to be the range of grain boundary energy distribution across the boundary. The range is also corresponding to the segregation range of alloying elements around the boundary. It is shown that the gradient parameter determines the boundary range but the grain boundary energy is determined by both the gradient parameter and the coupling parameter. The effect of the boundary range value on microstructure feature is examined by simulating the recrystallization of the alloy. The simulation results are consistent well with reported experimental measurements when the boundary range has a value of 1.18 μm. Grain growth phase-field simulation in industrial space and time scale is realized for the first time using the new model developed by introducing the new conception of the grain boundary range.

Keywords:

作者及机构信息

(1)东北大学材料各向异性与织构教育部重点实验室,沈阳 110004; (2)东北大学材料各向异性与织构教育部重点实验室,沈阳 110004;沈阳化工大学数理系,沈阳 110142; (3)山西太钢不锈钢股份有限公司,太原 030003

基金项目: 国家自然科学基金(批准号: 50471024,50771028)资助的课题.

Authors and contacts

(1)Key Laboratory of Anisotropy Design and Texture Engineering of Materials of Ministry of Education, Northeastern University, Shenyang 110004,China; (2)Key Laboratory of Anisotropy Design and Texture Engineering of Materials of Ministry of Education, Northeastern University, Shenyang 110004,China; Department of Mathematics and Physics, Shenyang University of Chemical Technology, Shenyang 110142, China; (3)Shanxi Taigang Stainless Steel Company Limited, Taiyuan 030003, China

参考文献

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[3]	Li J J, Wang J C, Yang G C 2008 Chin. Phys. B 17 3516
[4]	Lu Y, Wang F, Zhu C S, Wang Z P 2006 Acta Phys. Sin. 55 780 (in Chinese) [路阳、王帆、朱昌盛、王智平 2006 55 780]
[5]	Guo W, Zong B Y, Wang G, Zuo L 2004 J. Mater. Sci. Technol. 20 245
[6]	Shen C, Chen Q, Wen Y H, Simmons J P, Wang Y Z 2004 Scripta Mater. 50 1029
[7]	Guo W, Zong Y P, Zuo L, Wang Y Z 2006 Acta Metal. Sin. 42 549 (in Chinese)[郭巍、宗亚平、左良、王云志 2006 金属学报 42 549]
[8]	Krill Ⅲ C E, Chen L Q 2002 Acta Mater. 50 3057
[9]	Zhu J Z, Liu Z K, Vaithyanathan V, Chen L Q 2002 Script. Mater. 46 401
[10]	Wen Y H, Wang B, Simmons J P, Wang Y Z 2006 Acta Mater. 54 2087
[11]	Zhou Y M, He Y G, Lu A X, Wan Q 2009 Chin. Phys. B 18 3966
[12]	Cahn J W 1961 Acta Metall. 9 795
[13]	Gunton J D, Miguel M S, Sahni P S 1983 Phase Transitions and Critical Phenomena (London: Academic Press) pp267—466
[14]	Zhu J Z, Wang T, Ardell A J, Zhou S H, Liu Z K, Chen L Q 2004 Acta Mater. 52 2837
[15]	Fan D N, Chen L Q 1997 Acta Mater. 45 611
[16]	Chen D Q, Zheng Z Q, Liu Z Y, Li S C 2003 Acta Metal. Sin. 39 1238 (in Chinese) [陈大钦、郑子樵、刘祖耀、李世晨 2003 金属学报 39 1238 ]
[17]	Wang M T, Zong B Y, Wang G 2009 Comput. Mater. Sci. 45 217
[18]	Zong Y P, Wang M T, Guo W 2009 Acta Phys. Sin. 58 S161 (in Chinese)[宗亚平、王明涛、郭巍 2009 58 S161]
[19]	Fan D N, Chen L Q, Chen S P 1997 Mater. Sci. Eng. A 238 78
[20]	Kim S G, Kim W T, Suzuki T 1999 Physica E 60 7186
[21]	Moreau G, Cornet J A, Calais D 1971 J. Nucl. Mater. 38 197
[22]	Liu R C, Wang L Y, Gu L G, Huang G S 2004 Forming Tech. Light Metals 32 22(in Chinese)[刘饶川、汪凌云、辜蕾钢、黄光胜 2004 轻合金加工技术 32 22]
[23]	Gjostein N A, Rhines F N 1959 Acta Metall. 7 319
[24]	Frber B, Cadel E, Menand A, Schmitz G, Kirchheim R 2000 Acta Mater. 48 789

施引文献

[1]	Nestler B, Wheeler A A 2000 Physica D 138 114
[2]	Yang Y J, Wang J C, Zhang Y X, Zhu Y C, Yang G C 2009 Acta Phys. Sin. 58 2797 (in Chinese)[杨玉娟、王锦程、张玉祥、朱耀产、杨根仓 2009 58 2797]
[3]	Li J J, Wang J C, Yang G C 2008 Chin. Phys. B 17 3516
[4]	Lu Y, Wang F, Zhu C S, Wang Z P 2006 Acta Phys. Sin. 55 780 (in Chinese) [路阳、王帆、朱昌盛、王智平 2006 55 780]
[5]	Guo W, Zong B Y, Wang G, Zuo L 2004 J. Mater. Sci. Technol. 20 245
[6]	Shen C, Chen Q, Wen Y H, Simmons J P, Wang Y Z 2004 Scripta Mater. 50 1029
[7]	Guo W, Zong Y P, Zuo L, Wang Y Z 2006 Acta Metal. Sin. 42 549 (in Chinese)[郭巍、宗亚平、左良、王云志 2006 金属学报 42 549]
[8]	Krill Ⅲ C E, Chen L Q 2002 Acta Mater. 50 3057
[9]	Zhu J Z, Liu Z K, Vaithyanathan V, Chen L Q 2002 Script. Mater. 46 401
[10]	Wen Y H, Wang B, Simmons J P, Wang Y Z 2006 Acta Mater. 54 2087
[11]	Zhou Y M, He Y G, Lu A X, Wan Q 2009 Chin. Phys. B 18 3966
[12]	Cahn J W 1961 Acta Metall. 9 795
[13]	Gunton J D, Miguel M S, Sahni P S 1983 Phase Transitions and Critical Phenomena (London: Academic Press) pp267—466
[14]	Zhu J Z, Wang T, Ardell A J, Zhou S H, Liu Z K, Chen L Q 2004 Acta Mater. 52 2837
[15]	Fan D N, Chen L Q 1997 Acta Mater. 45 611
[16]	Chen D Q, Zheng Z Q, Liu Z Y, Li S C 2003 Acta Metal. Sin. 39 1238 (in Chinese) [陈大钦、郑子樵、刘祖耀、李世晨 2003 金属学报 39 1238 ]
[17]	Wang M T, Zong B Y, Wang G 2009 Comput. Mater. Sci. 45 217
[18]	Zong Y P, Wang M T, Guo W 2009 Acta Phys. Sin. 58 S161 (in Chinese)[宗亚平、王明涛、郭巍 2009 58 S161]
[19]	Fan D N, Chen L Q, Chen S P 1997 Mater. Sci. Eng. A 238 78
[20]	Kim S G, Kim W T, Suzuki T 1999 Physica E 60 7186
[21]	Moreau G, Cornet J A, Calais D 1971 J. Nucl. Mater. 38 197
[22]	Liu R C, Wang L Y, Gu L G, Huang G S 2004 Forming Tech. Light Metals 32 22(in Chinese)[刘饶川、汪凌云、辜蕾钢、黄光胜 2004 轻合金加工技术 32 22]
[23]	Gjostein N A, Rhines F N 1959 Acta Metall. 7 319
[24]	Frber B, Cadel E, Menand A, Schmitz G, Kirchheim R 2000 Acta Mater. 48 789

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