晶界原子尺度运动机制的研究进展

上海交通大学学报（自然版） ›› 2014, Vol. 48 ›› Issue (03): 388-393.

晶界原子尺度运动机制的研究进展

张金玲1,3，张明义1，张嘉振1，崔振山2,周振功3

(1.中国商用飞机有限责任公司北京民用飞机技术研究中心，北京 102211; 2.上海交通大学材料科学与工程学院，上海 200030; 3.哈尔滨工业大学复合材料与结构研究所，哈尔滨 150080）

收稿日期:2013-06-21
基金资助:
中国博士后科学基金（2013M532082）；上海市博士后科研资助计划重点项目(13R21421800)

A Review of Atomistic Scale Studies on Solute Segregation and Its Mechanism at Grain Boundary

ZHANG Jinling1,3,ZHANG Mingyi1,ZHANG Jiazhen1CUI Zhenshan2，ZHOU Zhengong3

（1.Beijing Aeronautical Science and Technology Research Institute, Commercial Aircraft Corporation of China， Ltd., Beijing 102211， China; 2.School of Materials Science and Engineering, Shanghai Jiaotong University， Shanghai 200030， China; 3.Center for Composite Materials and Structures, Harbin Institute of Technology, Harbin 150080, China)

Received:2013-06-21

摘要/Abstract

摘要：

对近年来研究原子尺度晶界迁移和移动机制的理论和方法进行了系统的评述和总结.归纳了晶界迁移机制的理论模型、晶界迁移机制的原子尺度实验和计算机模拟研究、晶界移动机制的原子尺度计算机模拟研究，讨论了各种晶界运动机制的优点和不足，并展望了材料中晶界运动机制研究的发展趋势.

关键词: 晶界迁移, 晶界移动, 原子尺度

Abstract:

By emphatically introducing atomistic scale studies on grain boundary migration and motion mechanism in recent years, the theoretical model, experimental and simulation studies of grain boundary migration mechanism at atomistic scale, and simulation studies of grain boundary motion mechanism at atomistic scale were reviewed. The advantages and disadvantages of these grain boundary evolution mechanisms were discussed. Finally, the future works on grain boundary evolution studies were suggested.

Key words: grain boundary migration, grain boundary motion, atomistic scale

中图分类号:

TG 146.4

张金玲1,3，张明义1，张嘉振1，崔振山2,周振功3. 晶界原子尺度运动机制的研究进展[J]. 上海交通大学学报（自然版）, 2014, 48(03): 388-393.

ZHANG Jinling1,3,ZHANG Mingyi1,ZHANG Jiazhen1CUI Zhenshan2，ZHOU Zhengong3. A Review of Atomistic Scale Studies on Solute Segregation and Its Mechanism at Grain Boundary[J]. Journal of Shanghai Jiaotong University, 2014, 48(03): 388-393.

参考文献

［1］Sutton A P, Balluffi R W. Interface in crystalline materials ［M］. Oxford: Clarendon Press, 1995.

［2］Wang S Q, Ye H Q. Theoretical studies of solidsolid interfaces［M］. ［s.l.］: Curr Opin Solid State Mater Sci, 2006: 26.

［3］Allara D L. A perspective on surfaces and interfaces ［J］. Nature, 2005, 437: 638639.

［4］Balluffi R W, Sutton A P. Why should we be interested in the atomic structure of interfaces ［J］. Materials Science Forum, 1996, 1: 207209.

［5］Brener E A, Temkin D E. Theory of diffusion induced grain boundary migration: is mass transport

along free surfaces important ［J］. Acta Materialia, 2002, 50: 17071716.

［6］Wan L, Wang S Q. Shear response of the Σ9 symmetric tilt grain boundary in fcc metals studied by atomistic simulation methods［J］. Physical Review B, 2010, 82: 214112.

［7］Mishin Y, Asta M, Li J. Atomistic modeling of interfaces and their impact on microstructure and properties ［J］. Acta Materialia, 2010, 58: 11171151.

［8］Liu F C, Ma Z Y. Contribution of grain boundary sliding in lowtemperature super plasticity of ultrafinegrained aluminum alloys ［J］. Scripta Materialia， 2010, 62: 125128.

［9］Farkas D, Frseth A, Swygenhoven H V. Grain boundary migration during room temperature deformation of nanocrystalline Ni ［J］. Scripta Materialia, 2006, 55: 695698.

［10］Bobylev S V, Morozov N F, Ovid’ko I A. Cooperative grain boundary sliding and migration process in nanocrystalline solids ［J］. Physical Review Letters, 2010, 105: 055504.

［11］Wei Y J, Bower A F, Gao H J. Enhanced strainrate sensitivity in fcc nanocrystals due to grainboundary diffusion and sliding ［J］. Acta Materialia, 2008, 56: 17411752.

［12］SheikhAli A D. Coupling of grain boundary sliding and migration within the range of boundary specialness［J］. Acta Materialia, 2010, 58: 62496255.

［13］Mishin Y, Suzuki A, Uberuaga B P, et al. Stickslip behavior of grain boundaries studied by accelerated molecular dynamics ［J］. Physical Review B, 2007, 75: 224101.

［14］Ivanov V A, Mishin Y. Dynamics of grain boundary motion coupled to shear deformation: An analytical model and its verification by molecular dynamics ［J］. Physical Review B, 2008, 78: 064106.

［15］Koike J, Ohyama R, Kobayashi T, et al. Grainboundary sliding in AZ31 magnesium alloys at room temperature to 523 K［J］. Materials Transactions, 2003, 44(4): 445451.

［16］Achter M R, Smoluchowski R. Diffusion in grain boundaries and their structure［J］.

Journal of Applied Physics, 2004, 22(10): 12061218.

［17］Winning M, Gottstein G, Shvindlerman L S. On the mechanisms of grain boundary migration［J］.

Acta Materialia， 2002, 50(2): 353363.

［18］Mohamed F A. A dislocation model for the minimum grain size obtainable by milling［J］.

Acta Materialia， 2003, 51(14): 41074119.

［19］De Koning M, Kurtz R J, Bulatov V V, et al. Modeling of dislocationgrain boundary interactions in FCC metals［J］. Journal of Nuclear， 2003, 323(23): 281289.

［20］Merkle K L, Thompson L J, Phillipp F. Insitu HREM studies of grain boundary migration［J］. Interface Science， 2004, 12: 277292.

［21］Howe J M, Gautam A R S, Chatterjee K, et al. Atomiclevel dynamic behavior of a diffuse interphase boundary in an AuCu alloy ［J］. Acta Materialia， 2007, 55: 21592171.

［22］Jhan R J, Bristowe P D. A molecular dynamics study of grain boundary migration without the participation of secondary grain boundary dislocations ［J］. Scripta Materialia， 1990, 24: 13131318.

［23］Babcock S E, Balluffi R W. Grain boundary kinetics.II. In situ observations of the role of grainboundary dislocations in highangle boundary migration ［J］. Acta Materialia， 1989, 37: 23672376.

［24］Rickman J M, Phillpot S R, Wolf D, et al. On the mechanism of grainboundary migration in metals: A molecular dynamics study ［J］. Journal of Materials Research， 1991, 6: 22912304.

［25］Schonfelder B, Gottstein G, Shvindlerman L S. Comparative study of grainboundary migration and grainboundary selfdiffusion of ［001］ twistgrain boundaries in copper by atomistic simulations［J］. Acta Materialia， 2005, 53: 15971069.

［26］Yan X N, Zhang H. On the atomistic mechanisms of grain boundary migration in ［001］ twist boundaries: Molecular dynamics simulations ［J］. Computational Materials Science， 2010, 48: 773782.

［27］Godiksen R B, Trautt Z T, Upmanyu M, et al. Simulations of boundary migration during recrystallization using molecular dynamics ［J］. Acta Materialia， 2007, 55: 63836391.

［28］Zhou L, Zhou N, Song G. Collective motion of atoms in grain boundary migration of a bcc metal ［J］. Philosophical Magazine A， 2006, 86: 58855895.

［29］Zhang H, Srolovitz D J, Douglas J F. Characterization of atomic motion governing grain boundary migration ［J］. Physical Review B, 2006, 74: 115404.

［30］Wan L, Wang S Q. Shear response of the Σ11, ［110］{131} symmetric tilt grain boundary studied by molecular dynamics ［J］. Modelling and Simulation in Materials Science and Engineering, 2009, 17: 045008.

［31］Bishop G H, Harrison R J, Kwok T. Observations of coupled sliding and migration in a 3dimensional simulation ［J］. Journal of Applied Physics, 1982, 53: 55965608.

［32］Shiga M, Shinoda W. Stressassisted grain boundary sliding and migration at finite temperature: A molecular dynamics study ［J］. Physical Review B, 2004, 70: 054102.

［33］Cahn J W, Mishin Y. Coupling grain boundary motion to shear deformation ［J］. Acta Materialia, 2006, 54: 49534975.