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采用晶体相场模型，分别模拟了纯物质小角度晶界和大角度晶界结构及变形过程中的晶粒转动及晶界迁移.结果表明，小角度晶界迁移的主要机理是构成晶界的位错的滑移和攀移，而大角度晶界的迁移主要依靠晶界两侧原子的跳动及晶界位错等缺陷的运动.The phase field crystal model was used to simulate the structure of the small angle and the large angle grain boundary (GB), the grain rotation and the GB migration during deformation. Simulated results show that the dislocation glide and climb are the main mechanisms for the small angle GB migration. While for the large angle GB, GB migration occurs by the atoms jumping over the grain boundary and the motion of dislocations and other defects.
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Keywords:
- phase field crystal model /
- grain boundary
[1] ［1］Lu K 1994 Bulletin of National Natural Science Foundation of China 8 245(in Chinese)［卢柯 1994 中国科学基金 8 245］
[2] ［2］Yu Y N 2006 Fundamentals of Materials Science (Beijing: Higher Education Press) p441 (in Chinese) ［余永宁 2006 材料科学基础（北京：高等教育出版社）第441页］
[3] ［3］Zhang L,Wang S Q, Ye H Q 2004 Acta Phys. Sin. 53 2497 (in Chinese) ［张林、王绍青、叶恒强 2004 53 2497］
[4] ［4］Wen Y H, Zhu T, Cao L X, Wang C Y 2003 Acta Phys. Sin. 52 2520 (in Chinese) ［文玉华、朱弢、曹立霞、王崇愚 2003 52 2520］
[5] ［5］Sun W, Chang M, Yang B H 1998 Acta Phys. Sin. 47 0591 (in Chinese) ［孙伟、常明、杨保和 1998 47 0591］
[6] ［6］Yu Y M, Yang G C, Zhao D W, Lü Y L 2001 Acta Phys.Sin. 50 2423 (in Chinese) ［于艳梅、杨根仓、赵达文、吕衣礼 2001 50 2423］
[7] ［7］Cui H L, Wang J C, Yang G C 2008 Foundry Technology 30 120 (in Chinese) ［崔怀磊、王锦程、杨根仓 2009 铸造技术 30 120］
[8] ［8］Elder K R, Katakowski M, Haataja M, Grant M 2002 Phys. Rev. Lett.88 245701
[9] ［9］Elder K R, Grant M 2004 Phys. Rev. E 70 051605
[10] ］Hirouchi T, Takaki T 2008 Comput. Mater. Sci. 44 1192
[11] ］Berry J, Grant M 2006 Phys. Rev. E 73 031609
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[1] ［1］Lu K 1994 Bulletin of National Natural Science Foundation of China 8 245(in Chinese)［卢柯 1994 中国科学基金 8 245］
[2] ［2］Yu Y N 2006 Fundamentals of Materials Science (Beijing: Higher Education Press) p441 (in Chinese) ［余永宁 2006 材料科学基础（北京：高等教育出版社）第441页］
[3] ［3］Zhang L,Wang S Q, Ye H Q 2004 Acta Phys. Sin. 53 2497 (in Chinese) ［张林、王绍青、叶恒强 2004 53 2497］
[4] ［4］Wen Y H, Zhu T, Cao L X, Wang C Y 2003 Acta Phys. Sin. 52 2520 (in Chinese) ［文玉华、朱弢、曹立霞、王崇愚 2003 52 2520］
[5] ［5］Sun W, Chang M, Yang B H 1998 Acta Phys. Sin. 47 0591 (in Chinese) ［孙伟、常明、杨保和 1998 47 0591］
[6] ［6］Yu Y M, Yang G C, Zhao D W, Lü Y L 2001 Acta Phys.Sin. 50 2423 (in Chinese) ［于艳梅、杨根仓、赵达文、吕衣礼 2001 50 2423］
[7] ［7］Cui H L, Wang J C, Yang G C 2008 Foundry Technology 30 120 (in Chinese) ［崔怀磊、王锦程、杨根仓 2009 铸造技术 30 120］
[8] ［8］Elder K R, Katakowski M, Haataja M, Grant M 2002 Phys. Rev. Lett.88 245701
[9] ［9］Elder K R, Grant M 2004 Phys. Rev. E 70 051605
[10] ］Hirouchi T, Takaki T 2008 Comput. Mater. Sci. 44 1192
[11] ］Berry J, Grant M 2006 Phys. Rev. E 73 031609
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