Transfer or blockage: Unraveling the interaction between deformation twinning and grain boundary in tantalum under shock loading with molecular dynamics

doi:10.1016/j.jmst.2023.01.039

J. Mater. Sci. Technol. ›› 2023, Vol. 156: 118-128.DOI: 10.1016/j.jmst.2023.01.039

• Research Article • Previous Articles Next Articles

Transfer or blockage: Unraveling the interaction between deformation twinning and grain boundary in tantalum under shock loading with molecular dynamics

Z.C. Meng^a,b,c, M.M. Yang^a, A.H. Feng^d, S.J. Qu^d,*, F. Zhao^e,*, L. Yang^f,g, J.H. Yao^f,g, Y. Yang^a, Q.B. Fan^f,g, H. Wang^a,*

^aInterdisciplinary Centre for Additive Manufacturing (ICAM), School of Materials and Chemistry, University of Shanghai for Science and Technology, Shanghai 200093, China;
^bInstitute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China;
^cSchool of Materials Science and Engineering, University of Science and Technology of China, Shenyang 110016, China;
^dSchool of Materials Science and Engineering, Tongji University, Shanghai 201804, China;
^eAcademy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Shenzhen 518055, China;
^fNational Key Laboratory of Science and Technology on Materials Under Shock and Impact, School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China;
^gBeijing Institute of Technology Chongqing Innovation Center, Chongqing 401135, China

Received:2022-10-08 Revised:2023-01-14 Accepted:2023-01-25 Published:2023-09-01 Online:2023-03-24
Contact: * E-mail addresses: qushoujiang@tongji.edu.cn (S.J. Qu), zhaof3@sustech.edu.cn (F. Zhao), haowang7@usst.edu.cn (H. Wang) .

Abstract

Abstract: The interaction between {112}<111> deformation twinning and grain boundary in coaxial polycrystalline tantalum under shock compression was studied with molecular dynamics simulation under different grain pair misorientation angles (MA) and geometric compatibility factor (m'). Generally, in the coaxial polycrystal, the value of MA determines the occurrence of twin transfer (TT) or twin blockage (TB), i.e., twin transfer occurs at MA ≤ 29° with twin blockage otherwise. Under TT, the value of m' affects the selection of twin variants., i.e., the twin system with a larger m' is easier to active. The morphology of twin pairs is ruler-shaped and lenticular under TT and TB, respectively, with different thickening mechanisms, including grain boundary dislocation emission.

Key words: Plasticity, Grain boundary, Twin, Atomistic simulation, Tantalum

Z.C. Meng, M.M. Yang, A.H. Feng, S.J. Qu, F. Zhao, L. Yang, J.H. Yao, Y. Yang, Q.B. Fan, H. Wang. Transfer or blockage: Unraveling the interaction between deformation twinning and grain boundary in tantalum under shock loading with molecular dynamics[J]. J. Mater. Sci. Technol., 2023, 156: 118-128.

References

[1] Z. Lin, E.J. Lavernia, F.A. Mohamed, Acta Mater. 47(1999) 1181-1194.
[2] B.S. Li, T.J. Marrow, D.E.J.Armstrong, Scr. Mater. 180(2020) 77-82.
[3] H. Bai, L. Zhong, Z. Shang, J. Wei, Y. Xu, J. Bai, J. Zhu, Appl. Surf. Sci. 493(2019) 1317-1325.
[4] G. Baccolo, Nat. Chem. 7(2015) 854-854.
[5] J.W. Christian, S. Mahajan, Prog. Mater. Sci. 39(1995) 1-157.
[6] D. Xu, H. Wang, R. Yang, P. Veyssière, Acta Mater. 56(2008) 1065-1074.
[7] Q. Yu, Z.W. Shan, J. Li, X.X. Huang, L. Xiao, J. Sun, E. Ma, Nature 463 (2010) 335-338.
[8] X.Y. Li, Y.J. Wei, L. Lu, K. Lu, H.J. Gao, Nature 464 (2010) 877-880.
[9] L. Lu, X. Chen, X. Huang, K. Lu, Science 323 (2009) 607-610.
[10] K. Zhang, Z.T. Shao, J. Jiang, Mater. Des. 194(2020) 108936.
[11] J. Zhang, C. Teng, Z. Meng, H. Xu, L. Yang, D. Xu, R. Yang, Intermetallics 126 (2020) 106946.
[12] M.A. Kumar, I.J. Beyerlein, R.J.McCabe, C.N. Tome, Nat. Commun. 7(2016) 1-9.
[13] L. Smith, J.A. Zimmerman, L.M. Hale, D. Farkas, Model. Simul. Mater. Sci. Eng. 22(2014) 045010.
[14] C. Huang, X. Peng, Y. Zhao, S. Weng, B. Yang, T. Fu, Mater. Sci. Eng. A 738 (2018) 1-9.
[15] Y. Zhu, K. Zhang, Z. Meng, K. Zhang, P. Hodgson, N. Birbilis, M. Weyland, H.L. Fraser, S.C.V.Lim, H. Peng, R.Yang, H. Wang, A. Huang, Nat. Mater. 21(2022) 1258-1262.
[16] M. Song, G. Zhou, N. Lu, J. Lee, E. Nakouzi, H. Wang, D. Li, Science 367 (2020) 40-45.
[17] X. Tian, D. Li, Y. Yu, Z.J. You, T. Li, L. Ge, Mater. Sci. Eng. A 690 (2017) 277-282.
[18] G. Sainath, A. Nagesha, Comput. Mater. Sci. 210(2022) 111449.
[19] A. Ojha, H. Sehitoglu, L. Patriarca, H.J. Maier, Philos. Mag. 94(2014) 1816-1840.
[20] F.X. Lin, M. Marteleur, P.J. Jacques, L. Delannay, Int. J. Plast. 105(2018) 195-210.
[21] Y.D. Im, Y.K. Lee, K.H. Song, Met. Mater. Int. 24(2018) 913-917.
[22] X.Y. Zhou, X.H. Min, J. Mater. Sci. 53(2018) 8604-8618.
[23] R.L. Xin, Y.C. Liang, C.H. Ding, C.F. Guo, B.S. Wang, Q. Liu, Mater. Des. 86(2015) 656-663.
[24] A. Khosravani, D.T. Fullwood, B.L. Adams, T.M. Rampton, M.P. Miles, R.K. Mishra, Acta Mater. 100(2015) 202-214.
[25] A . Fernandez, A .Jerusalem, I. Gutierrez-Urrutia, M.T. Perez-Prado, Acta Mater. 61(2013) 7679-7692.
[26] X. Hong, A. Godfrey, W. Liu, Scr. Mater. 123(2016) 77-80.
[27] J. Kacher, A.M. Minor, Acta Mater. 81(2014) 1-8.
[28] X. Hu, Y.Z. Ji, T.W. Heo, L.Q. Chen, X.Y. Cui, Acta Mater. 200(2020) 821-834.
[29] L. Wang, P. Eisenlohr, Y. Yang, T.R. Bieler, M.A. Crimp, Scr. Mater. 63(2010) 827-830.
[30] Z.W. Huang, Y.S. Li, Mater. Charact. 163(2020) 110237.
[31] N.V. Dudamell, I. Ulacia, F. Galvez, S. Yi, J. Bohlen, D. Letzig, I. Hurtado, M.T.Perez-Prado, Acta Mater. 59(2011) 6949-6962.
[32] I.J. Beyerlein, L. Capolungo, P.E. Marshall, R.J.McCabe, C.N. Tome, Comput. Phys. Commun. 90(2010) 2161-2190.
[33] L. Wang, Y. Yang, P. Eisenlohr, T.R. Bieler, M.A. Crimp, D.E. Mason, Metall. Mater. Trans. A-Phys.Metall. Mater. Sci. 41(2010) 421-430.
[34] J. Luster, M.A. Morris, Metall. Mater. Trans. A-Phys.Metall. Mater. Sci. 26(1995) 1745-1756.
[35] Z. Li, B. Xu, W. Liu, Comput. Mater. Sci. 154(2018) 147-151.
[36] J. Tang, H. Fan, D. Wei, W. Jiang, Q. Wang, X. Tian, X. Zhang, Int. J. Plast. 126(2020) 102613.
[37] I. Gutierrez-Urrutia, C.L. Li, X. Ji, S. Emura, K. Tsuchiya, Sci. Technol. Adv. Mater. 19(2018) 474-483.
[38] X.H. Min, K. Tsuzaki, S. Emura, T. Sawaguchi, S. Ii, K. Tsuchiya, Mater. Sci. Eng. A 579 (2013) 164-169.
[39] M. Parrinello, A. Rahman, J. Appl. Phys. 52(1981) 7182.
[40] R. Ravelo, T.C. Germann, O. Guerrero, Q. An, B.L. Holian, Phys. Rev. B 89 (2014) 134101.
[41] P. Hirel, Comput. Phys. Commun. 197(2015) 212-219.
[42] S. Plimpton, J. Comput. Phys. 117(1995) 1-19.
[43] A. Stukowski, Model. Simul. Mater. Sci. Eng. 18(2010) 015012.
[44] J.D. Honeycutt, H.C. Andersen, J. Phys. Chem. 91(1987) 4950-4963.
[45] C. Liu, P. Shanthraj, M. Diehl, F. Roters, S. Dong, J. Dong, W. Ding, D. Raabe, Int. J. Plast. 106(2018) 203-227.
[46] C.F. Guo, R.L. Xin, J.B. Xu, B. Song, Q. Liu, Mater. Des. 76(2015) 71-76.
[47] Y. Yang, B. Zhang, Z. Meng, L. Qu, H. Wang, S. Cao, J. Hu, H. Chen, S. Wu, D. Ping, G. Li, L.-.C. Zhang, R.Yang, A. Huang, J. Mater. Sci. Technol. 91(2021) 58-66.
[48] Y.F. Zhang, P.C. Millett, M. Tonks, S.B. Biner, Acta Mater. 60(2012) 6421-6428.
[49] B.B. Jiang, A.D. Tu, H. Wang, H.C. Duan, S.Y. He, H.Q. Ye, K. Du, Acta Mater. 155(2018) 56-68.
[50] S.Z. Li, X.D. Ding, J.K. Deng, T. Lookman, J. Li, X.B. Ren, J. Sun, A. Saxena, Phys. Rev. B 82 (2010) 205435.
[51] S. Ogata, J. Li, S. Yip, Phys. Rev. B 71 (22) (2005) 224102.
[52] A.W. Sleeswyk, Acta Metall. 10(1962) 705-725.
[53] P.D. Bristowe, A.G. Crocker, Crystals 10 (2020) 366.
[54] S. Mahajan, Metall. Trans. A 12 (3) (1981) 379-386.
[55] J. Levasseur, Mater. Sci. Eng. 4(1969) 343-352.

Transfer or blockage: Unraveling the interaction between deformation twinning and grain boundary in tantalum under shock loading with molecular dynamics

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