The effects of stacking fault and temperature on deformation mechanism of nanocrystalline Mg

Song Hai-Yang; Li Yu-Longi

doi:10.7498/aps.61.226201

Abstract

The effects of stacking fault (SF) and temperature on the mechanical properties of nano-polycrystal Mg under tension loading are investigated by molecular dynamics simulations. The interatomic potential of embedded atom method (EAM) is used as the Mg-Mg interaction. The computational results show that the yield strength of nano-polycrystal Mg can be obviously enhanced when stacking fault is introduced into grains, and the effect of SF on the Young's modulus of nano-polycrystal Mg is very small. The results also show that tensile twins and new grain at 300.0 K are nucleated and initiated at grain boundaries, growing continuously with the increase of strain. The dihedral angel between the (1000) plane of new grain and the X-Y plane is about 35. In other words, the nucleation and the growth of twins and new grains are the predominant deformation mechanism for nano-polycrystal Mg at 300.0K. We also find that at 10.0K the dislocation nucleation and slip are the predominant modes of the plastic deformation for nano-polycrystal Mg.

Keywords:

Authors and contacts

Song Hai-Yang^1,2,
Li Yu-Longi¹

1.
School of Aeronautics, Northwestern Polytechnical University, Xi’an 710072, China;
2.
School of Science, Xi’an University of Posts and Telecommunications, Xi’an 710121, China
Funds: Project supported by the Key Program of the National Natural Science Foundation of China (Grant No. 10932008), the National Natural Science Foundation of China (Grant No. 10902083), and the Program for New Scientific and Technological Star of Shaanxi Province (Grant No.2012KJXX-39).

References

[1]	Lu L, Chen X, Huang X, Lu K 2009 Science 323 607
[2]	Cao A J, Wei Y G 2007 J. Appl. Phys. 102 083511
[3]	Liang H Y, Wang X X, Wu H A, Wang Y 2002 Acta Phys. Sin. 51 2308 (in Chinese) [梁海弋, 王秀喜, 吴恒安, 王宇 2002 51 2308]
[4]	Zhang Y G, Lu J, Zhang H W, Chen Z 2009 Scripta Mater. 60 508
[5]	Liu X M, You X C, Liu Z L, Nie J F, Zhuang Z 2009 Acta Phys. Sin. 58 1849 (in Chinese) [刘小明, 由小川, 柳占立, 聂君峰, 庄茁 2009 58 1849]
[6]	Qu S X, Zhou H F 2010 Nanotechnology 21 335704
[7]	Ma W, Zhu W J, Chen K G, Jing F Q 2011 Acta Phys. Sin. 60 016107 (in Chinese) [马文, 祝文军, 陈开果, 经福谦 2011 60 016107]
[8]	Ma W, Zhu W J, Zhang Y L, Chen K G, Deng X L, Jing F Q 2010 Acta Phys. Sin. 59 4781 (in Chinese) [马文, 祝文军, 张亚林, 陈开果, 邓小良, 经福谦 2010 59 4781]
[9]	Qu S X, Zhou H F 2011 Scripta Mater. 65 265
[10]	Yang Z Y, Lu Z X, Zhao Y P 2009 Comput. Mater. Sci. 46 142
[11]	Han J, Su X M, Jin Z H 2011 Scripta Mater. 64 693
[12]	Tang T, Kim S, Horstemeyer M F 2010 Acta. Mater. 58 4742
[13]	Kim D H, Ebrahimi F, Manuel M V 2011 Mater. Sci. Eng. A 528 5411
[14]	Li B, Ma E 2009 Acta. Mater. 57 1734
[15]	Guo Y F, Wang Y S, Qi H G 2010Acta Metall. Sin. 23 370
[16]	Song H Y, Li Y L 2012 Phys. Lett. A 376 529
[17]	Song H Y, Li Y L 2012 J. Appl. Phys. 111 044322
[18]	Zhu Y T, Liao X Z, Wu X L 2012 Prog. Mater. Sci. 57 1
[19]	Liu X Y, Adams J B, Ercolessi F, Moriarty J A 1996 Modelling Simul. Mater. Sci. Eng. 4 293
[20]	Evans D J, Holian B L 1985 J. Chem. Phys. 83 4069
[21]	Faken D, Jonsson H 1994 Compos. Mater. Sci. 2 279
[22]	Stukowski A 2010 Modelling Simul. Mater. Sci. Eng. 18 015012
[23]	Froseth A G, VanSwygenhoven H, Derlet P M 2005 Acta. Mater. 53 4847

Cited By

[1]	Lu L, Chen X, Huang X, Lu K 2009 Science 323 607
[2]	Cao A J, Wei Y G 2007 J. Appl. Phys. 102 083511
[3]	Liang H Y, Wang X X, Wu H A, Wang Y 2002 Acta Phys. Sin. 51 2308 (in Chinese) [梁海弋, 王秀喜, 吴恒安, 王宇 2002 51 2308]
[4]	Zhang Y G, Lu J, Zhang H W, Chen Z 2009 Scripta Mater. 60 508
[5]	Liu X M, You X C, Liu Z L, Nie J F, Zhuang Z 2009 Acta Phys. Sin. 58 1849 (in Chinese) [刘小明, 由小川, 柳占立, 聂君峰, 庄茁 2009 58 1849]
[6]	Qu S X, Zhou H F 2010 Nanotechnology 21 335704
[7]	Ma W, Zhu W J, Chen K G, Jing F Q 2011 Acta Phys. Sin. 60 016107 (in Chinese) [马文, 祝文军, 陈开果, 经福谦 2011 60 016107]
[8]	Ma W, Zhu W J, Zhang Y L, Chen K G, Deng X L, Jing F Q 2010 Acta Phys. Sin. 59 4781 (in Chinese) [马文, 祝文军, 张亚林, 陈开果, 邓小良, 经福谦 2010 59 4781]
[9]	Qu S X, Zhou H F 2011 Scripta Mater. 65 265
[10]	Yang Z Y, Lu Z X, Zhao Y P 2009 Comput. Mater. Sci. 46 142
[11]	Han J, Su X M, Jin Z H 2011 Scripta Mater. 64 693
[12]	Tang T, Kim S, Horstemeyer M F 2010 Acta. Mater. 58 4742
[13]	Kim D H, Ebrahimi F, Manuel M V 2011 Mater. Sci. Eng. A 528 5411
[14]	Li B, Ma E 2009 Acta. Mater. 57 1734
[15]	Guo Y F, Wang Y S, Qi H G 2010Acta Metall. Sin. 23 370
[16]	Song H Y, Li Y L 2012 Phys. Lett. A 376 529
[17]	Song H Y, Li Y L 2012 J. Appl. Phys. 111 044322
[18]	Zhu Y T, Liao X Z, Wu X L 2012 Prog. Mater. Sci. 57 1
[19]	Liu X Y, Adams J B, Ercolessi F, Moriarty J A 1996 Modelling Simul. Mater. Sci. Eng. 4 293
[20]	Evans D J, Holian B L 1985 J. Chem. Phys. 83 4069
[21]	Faken D, Jonsson H 1994 Compos. Mater. Sci. 2 279
[22]	Stukowski A 2010 Modelling Simul. Mater. Sci. Eng. 18 015012
[23]	Froseth A G, VanSwygenhoven H, Derlet P M 2005 Acta. Mater. 53 4847

[1]	Qin Meng-Fei, Wang Ying-Min, Zhang Hong-Yu, Sun Ji-Zhong. Molecular dynamics simulation of dynamic migration of $\boldsymbol {\langle 100\rangle} $ interstitial dislocation loops under (010) surfaces of pure W and W containing helium impurity. Acta Physica Sinica, 2023, 72(24): 245204. doi: 10.7498/aps.72.20230651
[2]	Zhang Yu-Hang, Li Xiao-Bao, Zhan Chun-Xiao, Wang Mei-Qin, Pu Yu-Xue. Molecular dynamics simulation study on mechanical properties of Janus MoSSe monolayer. Acta Physica Sinica, 2023, 72(4): 046201. doi: 10.7498/aps.72.20221815
[3]	Zhang Bo-Jia, An Min-Rong, Hu Teng, Han La. Molecular dynamics simulation of mechanism of interaction between dislocation and amorphism in magnesium. Acta Physica Sinica, 2022, 71(14): 143101. doi: 10.7498/aps.71.20212318
[4]	Zhang Shuo-Xin, Liu Shi-Yu, Yan Da-Li, Yu Qian, Ren Hai-Tao, Yu Bin, Li De-Jun. First-principles study of structural stability and mechanical properties of Ta_1–_xHf_xC and Ta_1–_xZr_xC solid solutions. Acta Physica Sinica, 2021, 70(11): 117102. doi: 10.7498/aps.70.20210191
[5]	Han Rui-Qi, Song Hai-Yang, An Min-Rong, Li Wei-Wei, Ma Jia-Li. Simulation of interaction behavior between dislocation and graphene during nanoindentation of graphene/aluminum matrix nanocomposites. Acta Physica Sinica, 2021, 70(6): 066201. doi: 10.7498/aps.70.20201591
[6]	Li Xing-Xin, Li Si-Ping. Manipulations on mechanical properties of multilayer folded graphene by annealing temperature: a molecular dynamics simulation study. Acta Physica Sinica, 2020, 69(19): 196102. doi: 10.7498/aps.69.20200836
[7]	Li Jun, Liu Li-Sheng, Xu Shuang, Zhang Jin-Yong. Mechanical, electronic properties and deformation mechanisms of Ti₃B₄ under uniaxial compressions: a first-principles calculation. Acta Physica Sinica, 2020, 69(4): 043102. doi: 10.7498/aps.69.20191194
[8]	Liang Jin-Jie, Gao Ning, Li Yu-Hong. Effect of interstitial ${\left\langle {100} \right\rangle }$ dislocation loop on expansion of micro-crack in body centered cubic iron investigated by molecular dynamics method. Acta Physica Sinica, 2020, 69(11): 116102. doi: 10.7498/aps.69.20200317
[9]	Hu Xue-Lan, Lu Rui-Zhi, Wang Zhi-Long, Wang Ya-Ru. First-principles study on effect of Re on micro structure and mechanical properties of Ni₃Al intermetallics. Acta Physica Sinica, 2020, 69(10): 107101. doi: 10.7498/aps.69.20200097
[10]	Wang Xue-Fei, Ma Jing-Jie, Jiao Zhao-Yong, Zhang Xian-Zhou. Theoretical studies of electronic, mechanical and thermal properties of Ti3(SnxAl1-x)C2 solid solutions. Acta Physica Sinica, 2016, 65(20): 206201. doi: 10.7498/aps.65.206201
[11]	Wang Xiao-Yuan, Zhao Feng-Peng, Wang Jie, Yan Ya-Bin. First-principle studies of mechanical, electronic properties and strain engineering of metal-organic framework. Acta Physica Sinica, 2016, 65(17): 178105. doi: 10.7498/aps.65.178105
[12]	Zeng Xiao-Bo, Zhu Xiao-Ling, Li De-Hua, Chen Zhong-Jun, Ai Ying-Wei. First-principles calculations of the mechanical properties of IrB and IrB2. Acta Physica Sinica, 2014, 63(15): 153101. doi: 10.7498/aps.63.153101
[13]	Yan Xiao, Xin Zi-Hua, Zhang Jiao-Jiao. Molecular dynamics study on the structure and properties of silicon-graphdiyne. Acta Physica Sinica, 2013, 62(23): 238101. doi: 10.7498/aps.62.238101
[14]	Dai Yun-Ya, Yang Li, Peng Shu-Ming, Long Xing-Gui, Zhou Xiao-Song, Zu Xiao-Tao. First-principles calculation for mechanical properties of metal dihydrides. Acta Physica Sinica, 2012, 61(10): 108801. doi: 10.7498/aps.61.108801
[15]	Li De-Hua, Su Wen-Jin, Zhu Xiao-Ling. First-principles calculations for the mechanical properties of BC5. Acta Physica Sinica, 2012, 61(2): 023103. doi: 10.7498/aps.61.023103
[16]	Li Qing-Kun, Sun Yi, Zhou Yu, Zeng Fan-Lin. First principles study on the structure and mechanical properties of hcp-C3 carbon bulk ring. Acta Physica Sinica, 2012, 61(4): 043103. doi: 10.7498/aps.61.043103
[17]	Wang Jun, Zhang Bao-Ling, Zhou Yu-Lu, Hou Qing. Molecular dynamics simulation of helium behavior in tungsten matrix. Acta Physica Sinica, 2011, 60(10): 106601. doi: 10.7498/aps.60.106601
[18]	Xie Hong-Xian, Yu Tao, Liu Bo. Effect of temperature on motion of misfit dislocation in γ/γ'interface of a Ni-based single-crystal superalloy:molecular dynamic simulations. Acta Physica Sinica, 2011, 60(4): 046104. doi: 10.7498/aps.60.046104
[19]	He Jie, Chen Jun, Wang Xiao-Zhong, Lin Li-Bin. The first principles study on mechanical propertiesof He doped grain boundary of Al. Acta Physica Sinica, 2011, 60(7): 077104. doi: 10.7498/aps.60.077104
[20]	Li De-Hua, Zhu Xiao-Ling, Su Wen-Jin, Cheng Xin-Lu. First-principles calculations for the structure and mechanical properties of PtN2. Acta Physica Sinica, 2010, 59(3): 2004-2009. doi: 10.7498/aps.59.2004

Catalog

Vol. 61, Issue 22 - 2012-11-20

Metrics

Abstract views: 7498
PDF Downloads: 1760
Cited By: 0

姓名
邮箱
手机号码
标题
留言内容
验证码

Search

Article

留言板