Effect of stacking fault tetrahedron on spallation of irradiated Cu via molecular dynamics study

Zhu Qi; Wang Sheng-Tao; Zhao Fu-Qi; Pan Hao

doi:10.7498/aps.69.20191425

Abstract

Stacking fault tetrahedron (SFT) is a common type of three-dimensional vacancy clustered defect in irradiated FCC metals and alloys, which has a great influence on the mechanical properties of the materials. Previous researches mostly concentrated on the effect of SFT on the mechanical response of material under quasi-static or constant strain rate loading condition, while very few studies focused on its influence on mechanical properties under the shock loading condition. Spallation is a typical failure mode of ductile metal material under shock loading, and the initial defects in the material have a great influence on the spallation behavior. In this study, molecular dynamics simulation is carried out to investigate the influence of SFT on spallation behavior of irradiated copper single crystal under different shock intensities. Copper single crystal with a perfect structural model is also investigated under the same simulation condition for comparison. The model is divided into two parts: the flyer and the target. The shock wave is generated by moving the flyer at a velocity in a range of 1.0–2.5 km/s along the [111] crystallographic orientation to achieve the desired shock-state particle velocity U_p in a range of 0.5–1.25 km/s. The time evolution of pressure, free surface velocity and corresponding microstructure, are analyzed in detail to illuminate the spallation behavior of the Cu with SFT. It is revealed that the SFT collapses during shock compression and induces the generation of dislocations and stacking faults in the material. Subsequently, spallation happens when the voids nucleate and grow in the region of dislocations and stacking faults. Moreover, the materials show different spallation behaviors at different shock intensities. When U_p ≤ 1.0 km/s, only elastic deformation occurs in perfect single crystal copper under shock compression, but in the copper with SFT, local defects appear and plastic deformation occurs due to the collapse of SFT under shock compression. The influence of SFT on spallation is most pronounced at a medium shock intensity. When U_p = 0.75 km/s, the local defects caused by the collapse of SFT provide a wider nucleation area for the voids and promote the heterogeneous nucleation of the voids, resulting in the decreasing of the spall strength. The void nucleation of single crystal copper with SFT is found to be much later than the perfect one and the rate of spall damage evolution also decreases due to energy dissipation during SFT’s collapse and plastic deformation. When U_p increases to 1.25 km/s, shock compression induces many defected atoms in both samples, so the SFT has little influence on the spall strength and spall damage of the materials.

Keywords:

Authors and contacts

1.
Institute of Applied Physics and Computational Mathematics, Beijing 100094, China
2.
Graduate School of China Academy of Engineering Physics, Beijing 100088, China

Corresponding author: Pan Hao, Pan_hao@iapcm.ac.cn

Funds: Project supported by the Science Challenge Project, China (Grant No. TZ2018001) and the National Nature Science Foundation of China (Grant No.11702031)

FullText HTML

References

[1]	Zinkle S J, Busby J T 2009 Mater. Today 12 12
[2]	Yoshida N, Akashi Y, Kitajima K, Kiritani M 1985 J. Nucl. Mater. 133 405
[3]	Zinkle S J, Farrell K 1989 J. Nucl. Mater. 168 262 Google Scholar
[4]	Hashimoto N, Byun T S, Farrell K 2006 J. Nucl. Mater. 351 295 Google Scholar
[5]	Schäublin R, Yao Z, Baluc N, Victoria M 2005 Philos. Mag. 85 769 Google Scholar
[6]	Fabritsiev S A, Pokrovsky A S 2007 J. Nucl. Mater. 367 977
[7]	Shao J L, Wang P, He A M, Duan S Q, Qin C S 2014 Modell. Simul. Mater. Sci. Eng. 22 025012 Google Scholar
[8]	Zhou T T, He A M, Wang P, Shao J L 2019 Comput. Mater. Sci. 162 255 Google Scholar
[9]	Lin E Q, Shi H, Niu L 2014 Modell. Simul. Mater. Sci. Eng. 22 035012 Google Scholar
[10]	Qiu T, Xiong Y N, Xiao S F, Li X F, Hu W Y, Deng H Q 2017 Comput. Mater. Sci. 137 273 Google Scholar
[11]	Dai Y, Victoria M 1996 MRS. Symp. Proc. 439 319
[12]	Edwards D J, Singh B N, Bilde-Sørensen J B 2005 J. Nucl. Mater. 342 164 Google Scholar
[13]	Lee H J, Wirth B D 2009 Philos. Mag. 89 821 Google Scholar
[14]	Osetsky Y N, Stoller R E, Rodney D, Bacon D J 2005 Mater. Sci. Eng., A 400 370
[15]	Osetsky Y N, Rodney D, Bacon D J 2006 Philos. Mag. 86 2295 Google Scholar
[16]	Fan H, El-Awady J A, Wang Q 2015 J. Nucl. Mater. 458 176 Google Scholar
[17]	Fan H, Wang Q, Ouyang C 2015 J. Nucl. Mater. 465 245 Google Scholar
[18]	Martínez E, Uberuaga B P, Beyerlein I J 2016 Phys. Rev. B 93 054105 Google Scholar
[19]	Arsenlis A, Wirth B D, Rhee M 2004 Philos. Mag. 84 3617 Google Scholar
[20]	Krishna S, Zamiri A, De S 2010 Philos. Mag. 90 4013 Google Scholar
[21]	Xiao X Z, Song D K, Xue J M, Chu H J, Duan H L 2015 Int. J. Plast. 65 152 Google Scholar
[22]	Zhang L, Lu C, Tieu K, Shibuta Y 2018 Scr. Mater. 144 78 Google Scholar
[23]	Wu L P, Yu W S, Hu S L, Shen S P 2017 Int. J. Plast. 97 246 Google Scholar
[24]	Wu L P, Yu W S, Hu S L, Shen S P 2018 Comput. Mater. Sci. 155 256 Google Scholar
[25]	Xiao X Z, Song D K, Chu H J, Xue J M, Duan H L 2015 Int. J. Plast. 74 110 Google Scholar
[26]	Salehinia I, Bahr D F 2012 Scr. Mater. 66 339 Google Scholar
[27]	Figueroa E, Tramontina D, Gutierrez G, Bringa E 2015 J. Nucl. Mater. 467 677 Google Scholar
[28]	Salehinia I, Lawrence S K, Bahr D F 2013 Acta Mater. 61 1421 Google Scholar
[29]	Zhang L, Lu C, Tieu K, Su L, Zhao X, Pei L 2017 Mater. Sci. Eng., A 680 27 Google Scholar
[30]	Mishin Y, Mehl M J, Papaconstantopoulos D A, Voter A F, Kress J D 2001 Phys. Rev. B 63 224106 Google Scholar
[31]	Silcox J, Hirsch P B 1959 Philos. Mag. 4 1356 Google Scholar
[32]	Thompson A P, Plimpton S J, Mattson W 2009 J. Chem. Phys. 131 154107 Google Scholar
[33]	Stukowski A 2010 Modell. Simul. Mater. Sci. Eng. 18 015012
[34]	Stukowski A 2012 Modell. Simul. Mater. Sci. Eng. 20 045021 Google Scholar
[35]	Stukowski A, Albe K 2010 Modell. Simul. Mater. Sci. Eng. 18 085001 Google Scholar
[36]	Luo S N, Qi A, Germann T C, Han L B 2009 J. Appl. Phys. 106 013502 Google Scholar
[37]	裴晓阳, 彭辉, 贺红亮, 李平 2015 64 034601 Google Scholar Pei X Y, Peng H, He H L, Li P 2015 Acta Phys. Sin. 64 034601 Google Scholar

Cited By

图 1 模拟初始构型　(a) 整体构型, 箭头方向代表冲击方向; (b) 模型中的层错四面体分布

Figure 1. Initial configuration of the simulation system: (a) The equilibrated atomic configuration, and the arrow denotes the direction of impact; (b) the internal distribution of SFT.

DownLoad: Full-Size Img PowerPoint

图 2 SFT的形成过程

Figure 2. Snapshots of SFT formation.

DownLoad: Full-Size Img PowerPoint

图 3 不同U_p对应的层裂强度分布图

Figure 3. Relationship between particle velocity U_p and spall strength of perfect Cu and Cu with SFT.

DownLoad: Full-Size Img PowerPoint

图 4 压缩过程中SFT的演化形态图及对应的位错演化图(其中, 玫红色线是压杆位错, 绿色线是Shockley不完全位错, 浅蓝色线是Frank不完全位错, 红色线是其他位错)　(a) U_p = 0.5 km/s; (b) U_p = 0.75 km/s

Figure 4. Snapshots of SFT configuration and dislocation evolution at different deformation stages during shock compression: (a) U_p = 0.5 km/s; (b) U_p = 0.75 km/s. The rose red line represents the stair-rod dislocation, the green line represents the Shockley partial dislocation, the light blue line represents the Frank partial dislocation, and the red line is the undefined dislocation.

DownLoad: Full-Size Img PowerPoint

图 5 不同冲击速度下单晶铜在压缩和拉伸过程中的微结构演化图　(a) U_p = 0.75 km/s; (b) U_p = 1.25 km/s

Figure 5. Atomic configuration in Cu crystal during shock compression and tension at different impact velocity: (a) U_p = 0.75 km/s; (b) U_p = 1.25 km/s.

DownLoad: Full-Size Img PowerPoint

图 6 U_p = 0.75 km/s时孔洞演化图像及位错分布图　(a) 完美单晶铜; (b) 含SFT铜

Figure 6. Void and dislocation evolution during spallation at U_p = 0.75 km/s: (a) Perfect crystal Cu; (b) Cu with SFT.

DownLoad: Full-Size Img PowerPoint

图 7 U_p = 0.75 km/s时孔洞演化对应的应力温度分布图 (a) 应力; (b) 温度

Figure 7. Stress and temperature profiles for single crystal copper at U_p = 0.75 km/s: (a) Stress; (b) temperature.

DownLoad: Full-Size Img PowerPoint

图 8 不同U_p对应的自由表面速度曲线图　(a) U_p = 0.75 km/s; (b) U_p = 1.25 km/s

Figure 8. Free surface velocity evolution history for single crystal copper at different velocities: (a) U_p = 0.75 km/s; (b) U_p = 1.25 km/s.

DownLoad: Full-Size Img PowerPoint

map

[1]	Zinkle S J, Busby J T 2009 Mater. Today 12 12
[2]	Yoshida N, Akashi Y, Kitajima K, Kiritani M 1985 J. Nucl. Mater. 133 405
[3]	Zinkle S J, Farrell K 1989 J. Nucl. Mater. 168 262 Google Scholar
[4]	Hashimoto N, Byun T S, Farrell K 2006 J. Nucl. Mater. 351 295 Google Scholar
[5]	Schäublin R, Yao Z, Baluc N, Victoria M 2005 Philos. Mag. 85 769 Google Scholar
[6]	Fabritsiev S A, Pokrovsky A S 2007 J. Nucl. Mater. 367 977
[7]	Shao J L, Wang P, He A M, Duan S Q, Qin C S 2014 Modell. Simul. Mater. Sci. Eng. 22 025012 Google Scholar
[8]	Zhou T T, He A M, Wang P, Shao J L 2019 Comput. Mater. Sci. 162 255 Google Scholar
[9]	Lin E Q, Shi H, Niu L 2014 Modell. Simul. Mater. Sci. Eng. 22 035012 Google Scholar
[10]	Qiu T, Xiong Y N, Xiao S F, Li X F, Hu W Y, Deng H Q 2017 Comput. Mater. Sci. 137 273 Google Scholar
[11]	Dai Y, Victoria M 1996 MRS. Symp. Proc. 439 319
[12]	Edwards D J, Singh B N, Bilde-Sørensen J B 2005 J. Nucl. Mater. 342 164 Google Scholar
[13]	Lee H J, Wirth B D 2009 Philos. Mag. 89 821 Google Scholar
[14]	Osetsky Y N, Stoller R E, Rodney D, Bacon D J 2005 Mater. Sci. Eng., A 400 370
[15]	Osetsky Y N, Rodney D, Bacon D J 2006 Philos. Mag. 86 2295 Google Scholar
[16]	Fan H, El-Awady J A, Wang Q 2015 J. Nucl. Mater. 458 176 Google Scholar
[17]	Fan H, Wang Q, Ouyang C 2015 J. Nucl. Mater. 465 245 Google Scholar
[18]	Martínez E, Uberuaga B P, Beyerlein I J 2016 Phys. Rev. B 93 054105 Google Scholar
[19]	Arsenlis A, Wirth B D, Rhee M 2004 Philos. Mag. 84 3617 Google Scholar
[20]	Krishna S, Zamiri A, De S 2010 Philos. Mag. 90 4013 Google Scholar
[21]	Xiao X Z, Song D K, Xue J M, Chu H J, Duan H L 2015 Int. J. Plast. 65 152 Google Scholar
[22]	Zhang L, Lu C, Tieu K, Shibuta Y 2018 Scr. Mater. 144 78 Google Scholar
[23]	Wu L P, Yu W S, Hu S L, Shen S P 2017 Int. J. Plast. 97 246 Google Scholar
[24]	Wu L P, Yu W S, Hu S L, Shen S P 2018 Comput. Mater. Sci. 155 256 Google Scholar
[25]	Xiao X Z, Song D K, Chu H J, Xue J M, Duan H L 2015 Int. J. Plast. 74 110 Google Scholar
[26]	Salehinia I, Bahr D F 2012 Scr. Mater. 66 339 Google Scholar
[27]	Figueroa E, Tramontina D, Gutierrez G, Bringa E 2015 J. Nucl. Mater. 467 677 Google Scholar
[28]	Salehinia I, Lawrence S K, Bahr D F 2013 Acta Mater. 61 1421 Google Scholar
[29]	Zhang L, Lu C, Tieu K, Su L, Zhao X, Pei L 2017 Mater. Sci. Eng., A 680 27 Google Scholar
[30]	Mishin Y, Mehl M J, Papaconstantopoulos D A, Voter A F, Kress J D 2001 Phys. Rev. B 63 224106 Google Scholar
[31]	Silcox J, Hirsch P B 1959 Philos. Mag. 4 1356 Google Scholar
[32]	Thompson A P, Plimpton S J, Mattson W 2009 J. Chem. Phys. 131 154107 Google Scholar
[33]	Stukowski A 2010 Modell. Simul. Mater. Sci. Eng. 18 015012
[34]	Stukowski A 2012 Modell. Simul. Mater. Sci. Eng. 20 045021 Google Scholar
[35]	Stukowski A, Albe K 2010 Modell. Simul. Mater. Sci. Eng. 18 085001 Google Scholar
[36]	Luo S N, Qi A, Germann T C, Han L B 2009 J. Appl. Phys. 106 013502 Google Scholar
[37]	裴晓阳, 彭辉, 贺红亮, 李平 2015 64 034601 Google Scholar Pei X Y, Peng H, He H L, Li P 2015 Acta Phys. Sin. 64 034601 Google Scholar

Catalog

Vol. 69, Issue 3 - 2020-02-05

Metrics

Abstract views: 15509
PDF Downloads: 223
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