Screw dislocation slip and its interaction with ½[<inline-formula><tex-math id="M2">\begin{document}${{11}}\bar {{1}}$\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="6-20201659_M2.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="6-20201659_M2.png"/></alternatives></inline-formula>] dislocation loop in bcc-Fe at different temperatures

Wang Jin; He Xin-Fu; Cao Han; Jia Li-Xia; Dou Yan-Kun; Yang Wen

doi:10.7498/aps.70.20201659

Abstract

Reduced activation ferritic/martensitic (RAFM) steel, as a typical body centered cubic (bcc) iron based structure material, has become a candidate material for future fusion reactor. Nano-scale prismatic interstitial dislocation loops formed in irradiated RAFM have been studied for many years because of their significant influences on the mechanical properties (e.g. irradiation embrittlement, hardening, creep, etc.). Compared with edge dislocation, screw dislocation has very important influence on plastic deformation behavior because of its low mobility. Thus, the mechanism of interaction between screw dislocation and interstitial dislocation loops has become an intense research topic of interest. In this study, the slip behavior of screw dislocation and the mechanisms of interaction between screw dislocation and ½[$11\bar 1$] dislocation loop in bcc-Fe at different temperatures are investigated by molecular dynamics simulation. The results show that the screw dislocation mainly slides along the ($\bar 2 11$) plane at a low temperature of 2 K under the increase of shear stress. With the temperature increasing to 823 K, it is prone to cross slip, and then the cross slip occurs alternately in the ($\bar 1 10$) plane and the ($\bar 2 11$) plane. Therefore, with the increase of temperature, the critical shear stress decreases gradually. When the screw dislocation slips close to the dislocation loop, the mechanism of interaction between screw dislocation and dislocation loop is different at different temperature: at low temperature of 2 K, there is repulsive force between screw dislocation and dislocation loop, when screw dislocation slip approaches to the dislocation loop, the cross slip of screw dislocation can occur, and shear stress is lower than that from the model without dislocation loop; at medium temperatures of 300 K and 600 K, the influence of repulsive force on the cross slip of screw dislocation can be weakened, and screw dislocation will slip through the dislocation loop then form the new structure named helix turn, which further hinders screw dislocation slipping and results in the increase of shear stress; at a high temperature of 823 K, the screw dislocation is more likely to cross slip due to the thermal activation, and the slip of dislocation loop is also easier to occur, but the screw dislocation and the dislocation loop do not contact each other in the whole shearing process, therefore the shear stress is lowest.

Keywords:

Authors and contacts

Reactor Engineering Technology Research Department, China Institute of Atomic Energy, Beijing 102413, China

Corresponding author: Wang Jin, wangjin118114@sina.com

Funds: Project supported by the National Natural Science Foundation of China (Grant No. U1867217) and the National Key Research and Development Program of China (Grant No. 2018YFE0308104)

FullText HTML : translate this paragraph

References

[1]	Ullmaier H 1984 Nucl. Fusion 24 1039 Google Scholar
[2]	Sokolov M A, Tanigawa H, Odette G R, Shiba K, Klueh R L 2007 J. Nucl. Mater. 367 68 Google Scholar
[3]	Dai Y, Long B, Tong Z F 2008 J. Nucl. Mater. 377 115 Google Scholar
[4]	Hardie C D, Williams C A, Xu S, Roberts S G 2013 J. Nucl. Mater. 439 33 Google Scholar
[5]	Suganuma K, Kayano H 1983 J. Nucl. Mater. 118 234 Google Scholar
[6]	Terentyev D, Haghighat S M H, Schaublin R 2010 J. Appl. Phys. 107 55 Google Scholar
[7]	贾丽霞, 贺新福, 豆艳坤, 吴石, 王东杰, 杨文 2017 核动力工程 38 115 Google Scholar Jia L X, He X F, Dou Y K, Wu S, Wang D J, Yang Wen 2017 Nuclear Power Engineering 38 115 Google Scholar
[8]	Wang Y X, Xu Q, Yoshiie T, Pan Z Y 2008 J. Nucl. Mater. 376 133 Google Scholar
[9]	Osetsky Y N, Stoller R E 2015 J. Nucl. Mater. 465 448 Google Scholar
[10]	Yang L, Zhu Z Q, Peng S M, Long X G, Zhou X S, Zu X T, Heinisch H L, Kurtz R J, Gao F 2013 J. Nucl. Mater. 441 6 Google Scholar
[11]	Terentyev D, Bergner F, Osetsky Y 2013 Acta Mater. 61 1444 Google Scholar
[12]	Rong Z, Osetsky Y N, Bacon D J 2005 Philos. Mag. 85 1473 Google Scholar
[13]	Jia L X, He X F, Dou Y K, Wang D J, Wu S, Cao H, Yang W 2019 Nucl. Instrum. Methods Phys. Res. 456 103 Google Scholar
[14]	Liu X Y, Biner S B 2008 Scripta Mater. 59 51 Google Scholar
[15]	Hale L M, Zimmerman J A, Weinberger C R 2014 Comput. Mater. Sci. 90 106 Google Scholar
[16]	Yang L, Gao F, Kurtz R J, Zu X T 2015 Acta Mater. 82 275 Google Scholar
[17]	Zhang L, Fu C C, Hayward E, Lu G H 2015 J. Nucl. Mater. 459 247 Google Scholar
[18]	Martinez E, Schwen D, Caro A 2015 Acta Mater. 84 208 Google Scholar
[19]	Zhurkin E E, Terentyev D, Hou M, Malerba L, Bonny G 2011 J. Nucl. Mater. 417 1082 Google Scholar
[20]	Wakai E, Hishinuma A, Kato Y, Yano H, Takaki S, Abiko K 1995 J. Phys. IV France 5 C7-277 Google Scholar
[21]	Xu H X, Stoller R E, Osetsky Y N, Terentyev D 2013 Phys. Rev. Lett. 110 265503 Google Scholar
[22]	Terentyev D, Bacon D J, Osetsky Y N 2010 Philos. Mag. 90 1019 Google Scholar
[23]	Pascale E T, Shehadeh M A 2018 Int. J. Plasticity 9 2 Google Scholar
[24]	Song G, Lee S W 2019 Comput. Mater. Sci. 168 172 Google Scholar
[25]	Xia Z Y, Zhang Z J, Yan J X, Yang J B, Zhang Z F 2020 Comput. Mater. Sci. 174 109503 Google Scholar
[26]	LAMMPS Molecular Dynamics Simulator http://lammps. sandia.gov/ [2020-10-7]
[27]	Caro A, Hetherly J, Stukowski A, Caro M, Martinez E, Srivilliputhur S, Zepeda-Ruiz L, Nastasi M 2011 J. Nucl. Mater. 418 261 Google Scholar
[28]	Stukowski A 2010 Modell. Simul. Mater. Sci. Eng. 18 015012 Google Scholar
[29]	Gordon P A, Neeraj T, Li Y, Li J 2010 Modell. Simul. Mater. Sci. Eng. 18 085008 Google Scholar
[30]	Jaime M, Wei C, Vasily V B 2004 Nature Mater. 3 158 Google Scholar
[31]	Bacon D J, Osetsky Y N, Rong Z 2006 Philos. Mag. 86 3921 Google Scholar

Cited By

图 1 (a)螺位错模型和(b)含½[$11\bar 1$]位错环的螺位错模型

Figure 1. (a) Model of screw dislocation; (b) model of screw dislocation with ½[$11\bar 1 $] dislocation loop.

DownLoad: Full-Size Img PowerPoint

图 2 不同温度下螺位错及其与½[$11\bar 1$]位错环模型切应力-应变曲线

Figure 2. Shear stress-strain (τ-ε) curves of screw dislocation model with and without ½[$11\bar 1$] loop under different temperatures.

DownLoad: Full-Size Img PowerPoint

图 3 随应变量增加的螺位错模型构型图　(a) ε = 0; (b) ε = 0.03; (c) ε = 0.048; (d) ε = 0.058; (e) ε = 0.068; (f) ε = 0.075

Figure 3. Configurations of screw dislocation model with increasing strain: (a) ε = 0; (b) ε = 0.03; (c) ε = 0.048; (d) ε = 0.058; (e) ε = 0.068; (f) ε = 0.075.

DownLoad: Full-Size Img PowerPoint

图 4 不同温度下螺位错模型在ε = 0.03 (a), (b), (c)和0.045 (d), (e), (f)时的构型图　(a), (d) 300 K; (b), (e) 600 K; (c), (f) 823 K

Figure 4. Configurations of screw dislocation model when ε = 0.03 (a), (b), (c) and 0.045 (d), (e), (f) under different temperatures: (a), (d) 300 K; (b), (e) 600 K; (c), (f) 823 K.

DownLoad: Full-Size Img PowerPoint

图 5 2 K下随应变量增加含位错环的螺位错模型构型图　(a) ε = 0.015; (b) ε = 0.03; (c) ε = 0.06

Figure 5. Configurations of screw dislocation model with dislocation loop with increasing strain at 2 K: (a) ε = 0.015; (b) ε = 0.03; (c) ε = 0.06.

DownLoad: Full-Size Img PowerPoint

图 6 不同温度下含位错环的螺位错模型在 ε = 0.015 (a), (d), 0.03 (b), (e)和0.045 (c), (f)时构型图　(a), (b), (c) 300 K; (d), (e), (f) 600 K

Figure 6. Configurations of screw dislocation model with dislocation loop when ε = 0.015 (a), (d), 0.03 (b), (e), and 0.045 (c), (f) under different temperatures: (a), (b), (c) 300 K; (d), (e), (f) 600 K.

DownLoad: Full-Size Img PowerPoint

图 7 823 K下随应变量增加含位错环的螺位错模型构型图　(a) ε = 0.015; (b) ε = 0.03; (c) ε = 0.045

Figure 7. Configurations of screw dislocation model with dislocation loop with increasing strain at 823 K: (a) ε = 0.015; (b) ε = 0.03; (c) ε = 0.045.

DownLoad: Full-Size Img PowerPoint

[1]	Ullmaier H 1984 Nucl. Fusion 24 1039 Google Scholar
[2]	Sokolov M A, Tanigawa H, Odette G R, Shiba K, Klueh R L 2007 J. Nucl. Mater. 367 68 Google Scholar
[3]	Dai Y, Long B, Tong Z F 2008 J. Nucl. Mater. 377 115 Google Scholar
[4]	Hardie C D, Williams C A, Xu S, Roberts S G 2013 J. Nucl. Mater. 439 33 Google Scholar
[5]	Suganuma K, Kayano H 1983 J. Nucl. Mater. 118 234 Google Scholar
[6]	Terentyev D, Haghighat S M H, Schaublin R 2010 J. Appl. Phys. 107 55 Google Scholar
[7]	贾丽霞, 贺新福, 豆艳坤, 吴石, 王东杰, 杨文 2017 核动力工程 38 115 Google Scholar Jia L X, He X F, Dou Y K, Wu S, Wang D J, Yang Wen 2017 Nuclear Power Engineering 38 115 Google Scholar
[8]	Wang Y X, Xu Q, Yoshiie T, Pan Z Y 2008 J. Nucl. Mater. 376 133 Google Scholar
[9]	Osetsky Y N, Stoller R E 2015 J. Nucl. Mater. 465 448 Google Scholar
[10]	Yang L, Zhu Z Q, Peng S M, Long X G, Zhou X S, Zu X T, Heinisch H L, Kurtz R J, Gao F 2013 J. Nucl. Mater. 441 6 Google Scholar
[11]	Terentyev D, Bergner F, Osetsky Y 2013 Acta Mater. 61 1444 Google Scholar
[12]	Rong Z, Osetsky Y N, Bacon D J 2005 Philos. Mag. 85 1473 Google Scholar
[13]	Jia L X, He X F, Dou Y K, Wang D J, Wu S, Cao H, Yang W 2019 Nucl. Instrum. Methods Phys. Res. 456 103 Google Scholar
[14]	Liu X Y, Biner S B 2008 Scripta Mater. 59 51 Google Scholar
[15]	Hale L M, Zimmerman J A, Weinberger C R 2014 Comput. Mater. Sci. 90 106 Google Scholar
[16]	Yang L, Gao F, Kurtz R J, Zu X T 2015 Acta Mater. 82 275 Google Scholar
[17]	Zhang L, Fu C C, Hayward E, Lu G H 2015 J. Nucl. Mater. 459 247 Google Scholar
[18]	Martinez E, Schwen D, Caro A 2015 Acta Mater. 84 208 Google Scholar
[19]	Zhurkin E E, Terentyev D, Hou M, Malerba L, Bonny G 2011 J. Nucl. Mater. 417 1082 Google Scholar
[20]	Wakai E, Hishinuma A, Kato Y, Yano H, Takaki S, Abiko K 1995 J. Phys. IV France 5 C7-277 Google Scholar
[21]	Xu H X, Stoller R E, Osetsky Y N, Terentyev D 2013 Phys. Rev. Lett. 110 265503 Google Scholar
[22]	Terentyev D, Bacon D J, Osetsky Y N 2010 Philos. Mag. 90 1019 Google Scholar
[23]	Pascale E T, Shehadeh M A 2018 Int. J. Plasticity 9 2 Google Scholar
[24]	Song G, Lee S W 2019 Comput. Mater. Sci. 168 172 Google Scholar
[25]	Xia Z Y, Zhang Z J, Yan J X, Yang J B, Zhang Z F 2020 Comput. Mater. Sci. 174 109503 Google Scholar
[26]	LAMMPS Molecular Dynamics Simulator http://lammps. sandia.gov/ [2020-10-7]
[27]	Caro A, Hetherly J, Stukowski A, Caro M, Martinez E, Srivilliputhur S, Zepeda-Ruiz L, Nastasi M 2011 J. Nucl. Mater. 418 261 Google Scholar
[28]	Stukowski A 2010 Modell. Simul. Mater. Sci. Eng. 18 015012 Google Scholar
[29]	Gordon P A, Neeraj T, Li Y, Li J 2010 Modell. Simul. Mater. Sci. Eng. 18 085008 Google Scholar
[30]	Jaime M, Wei C, Vasily V B 2004 Nature Mater. 3 158 Google Scholar
[31]	Bacon D J, Osetsky Y N, Rong Z 2006 Philos. Mag. 86 3921 Google Scholar

[1]	Xu Chi, Wan Fa-Rong. Analysis of dislocation characteristics and inside-outside contrasts in irradiated and annealed tungsten as a fusion reactor material. Acta Physica Sinica, 2023, 72(5): 056801. doi: 10.7498/aps.72.20222124
[2]	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
[3]	Wang Sheng, Chen Jing-Jing, Weng Sheng-Bin. Investigation into movable dislocation evolution feature and strengthening effect for metal twin Al from atomic perspective. Acta Physica Sinica, 2022, 71(2): 029601. doi: 10.7498/aps.71.20211305
[4]	Li Ran-Ran, Zhang Yi-Fan, Yin Yu-Peng, Watanabe Hideo, Han Wen-Tuo, Yi Xiao-Ou, Liu Ping-Ping, Zhang Gao-Wei, Zhan Qian, Wan Fa-Rong. In-situ study of one-dimensional motion of interstitial-type dislocation loops in hydrogen-ion-implanted aluminum. Acta Physica Sinica, 2022, 71(1): 016102. doi: 10.7498/aps.71.20211229
[5]	. Reveal of Movable Dislocation Evolution Feature and Strengthening?Effect for Mental Twin Al?from Atomic Perspective. Acta Physica Sinica, 2021, (): . doi: 10.7498/aps.70.20211305
[6]	. An in-situ study of one-dimensional motion of interstitial-type dislocation loops in hydrogen-ion-implanted aluminum. Acta Physica Sinica, 2021, (): . doi: 10.7498/aps.70.20211229
[7]	Zhou Liang-Fu, Zhang Jing, He Wen-Hao, Wang Dong, Su Xue, Yang Dong-Yang, Li Yu-Hong. The nucleation and growth of Helium hubbles at grain boundaries of bcc tungsten: a molecular dynamics simulation. Acta Physica Sinica, 2020, 69(4): 046103. doi: 10.7498/aps.69.20191069
[8]	Zhu Qi, Wang Sheng-Tao, Zhao Fu-Qi, Pan Hao. Effect of stacking fault tetrahedron on spallation of irradiated Cu via molecular dynamics study. Acta Physica Sinica, 2020, 69(3): 036201. doi: 10.7498/aps.69.20191425
[9]	Liang Jin-Jie, Gao Ning, Li Yu-Hong. Surface effect on ${\langle 100 \rangle }$ interstitial dislocation loop in iron. Acta Physica Sinica, 2020, 69(3): 036101. doi: 10.7498/aps.69.20191379
[10]	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
[11]	Cui Li-Juan, Gao Jin, Du Yu-Feng, Zhang Gao-Wei, Zhang Lei, Long Yi, Yang Shan-Wu, Zhan Qian, Wan Fa-Rong. Characterization of dislocation loops in hydrogen-ion irradiated vanadium. Acta Physica Sinica, 2016, 65(6): 066102. doi: 10.7498/aps.65.066102
[12]	Gao Xue-Yun, Wang Hai-Yan, Li Chun-Long, Ren Hui-Ping, Li De-Chao, Liu Zong-Chang. First-principles study of the effect of lanthanum on the Cu diffusion mechanism in bcc-Fe. Acta Physica Sinica, 2014, 63(24): 248101. doi: 10.7498/aps.63.248101
[13]	Tang Cui-Ming, Zhao Feng, Chen Xiao-Xu, Chen Hua-Jun, Cheng Xin-Lu. Thermite reaction of Al and α-Fe2O3 at the nanometer interface：ab initio molecular dynamics study. Acta Physica Sinica, 2013, 62(24): 247101. doi: 10.7498/aps.62.247101
[14]	Wu Wen-Ping, Guo Ya-Fang, Wang Yue-Sheng, Xu Shuang. Evolution of interphase misfit dislocation networks in Ni-based single crystal superalloy under shear loading. Acta Physica Sinica, 2011, 60(5): 056802. doi: 10.7498/aps.60.056802
[15]	Zhu Tao, Wang Chong-Yu, Gan Yong. Evolution of interphase misfit dislocation networks in Ni-based single-crystal superalloy. Acta Physica Sinica, 2009, 58(13): 156-S160. doi: 10.7498/aps.58.156
[16]	Lu Guo, Fang Bu-Qing, Zhang Guang-Cai, Xu Ai-Guo. Separating of dislocation ring at finite temperature. Acta Physica Sinica, 2009, 58(11): 7934-7946. doi: 10.7498/aps.58.7934
[17]	Zhou Nai-Gen, Zhou Lang. Prevention of misfit dislocations by using nano pillar crystal array substrates. Acta Physica Sinica, 2008, 57(5): 3064-3070. doi: 10.7498/aps.57.3064
[18]	Zhou Nai-Gen, Zhou Lang, Du Dan-Xu. Structure and formation of misfit dislocations in an epitaxial fcc film. Acta Physica Sinica, 2006, 55(1): 372-377. doi: 10.7498/aps.55.372
[19]	Zhang Chao, Wang Yong-Liang, Yan Chao, Zhang Qing-Yu. Numerical simulation of the influence of substitutional impurity on the interaction between low-energy Pt atoms and Pt(111) surface. Acta Physica Sinica, 2006, 55(6): 2882-2891. doi: 10.7498/aps.55.2882
[20]	Zhou Nai-Gen, Zhou Lang. Conditions for formation of misfit dislocation in epitaxial films — a molecular dynamics study. Acta Physica Sinica, 2005, 54(7): 3278-3283. doi: 10.7498/aps.54.3278

Catalog

Vol. 70, Issue 6 - 2021-03-20

Metrics

Abstract views: 4933
PDF Downloads: 120
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

Screw dislocation slip and its interaction with ½[${{11}}\bar {{1}}$] dislocation loop in bcc-Fe at different temperatures

Abstract

Authors and contacts

Corresponding author: Wang Jin, wangjin118114@sina.com

FullText HTML : translate this paragraph

References

Cited By

Catalog

Metrics

Authors

Referees

About Journal

About

Search

Article

留言板

Screw dislocation slip and its interaction with ½[${{11}}\bar {{1}}$] dislocation loop in bcc-Fe at different temperatures

Abstract

Authors and contacts

Corresponding author: Wang Jin, wangjin118114@sina.com

FullText HTML : translate this paragraph

References

Cited By

Catalog

Metrics

Publishing process

Authors

Referees

About Journal

About