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Dynamic recrystallization initiated by direct grain reorientation at high-angle grain boundary in α-titanium

  • Hao Wang (a1), Qili L. Bao (a1), Gang Zhou (a1), J.K. Qiu (a1), Yi Yang (a2), Y.J. Ma (a1), Chunguang G. Bai (a1), Dongsheng S. Xu (a1), David Rugg (a3), Aijun J. Huang (a2), Qing-Miao Hu (a1), J.F. Lei (a1) and Rui Yang (a1)...


Employing atomic-scale simulations, the response of a high-angle grain boundary (GB), the soft/hard GB, against external loading was systematically investigated. Under tensile loading close to the hard orientation, strain-induced dynamic recrystallization was observed to initiate through direct soft-to-hard grain reorientation, which was triggered by stress mismatch, inhibited by surface tension from the soft-hard GB, and proceeded by interface ledges. Such grain reorientation corresponds with expansion and contraction of the hard grain along and perpendicular to the loading direction, respectively, accompanied by local atomic shuffling, providing relatively large normal strain of 8.3% with activation energy of 0.04 eV per atom. Tensile strain and residual dislocations on the hard/soft GB facilitate the initiation of dynamic recrystallization by lowering the energy barrier and the critical stress for grain reorientation, respectively.


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1.Leyens, C. and Peters, M.: Titanium and Titanium Alloys (Wiley-VCH, Weinheim, 2003).
2.Lutjering, G. and Williams, J.C.: Titanium, 2nd ed. (Springer, Berlin, 2007).
3.Yoo, M.H. and Wei, C.T.: Slip modes of hexagonal-close-packed metals. J. Appl. Phys. 38, 43174322 (1967).
4.Naka, S., Lasalmonie, A., Costa, P., and Kubin, L.P.: The low-temperature plastic-deformation of alpha-titanium and the core structure of a-type screw dislocations. Philos. Mag. A 57, 717740 (1988).
5.Williams, J.C., Baggerly, R.G., and Paton, N.E.: Deformation behavior of HCPTi-Al alloy single crystals. Metall. Mater. Trans. A 33, 837 (2002).
6.Bache, M.R., Evans, W.J., and Davies, H.M.: Electron back scattered diffraction (EBSD) analysis of quasi-cleavage and hydrogen induced fractures under cyclic and dwell loading in titanium alloys. J. Mater. Sci. 32, 34353442 (1997).
7.Bache, M.R.: A review of dwell sensitive fatigue in titanium alloys: The role of microstructure, texture and operating conditions. Int. J. Fatigue 25, 10791087 (2003).
8.Sinha, V., Mills, M.J., and Williams, J.C.: Crystallography of fracture facets in a near-alpha titanium alloy. Metall. Mater. Trans. A 37, 20152026 (2006).
9.Dunne, F.P.E., Wilkinson, A.J., and Allen, R.: Experimental and computational studies of low cycle fatigue crack nucleation in a polycrystal. Int. J. Plast. 23, 273295 (2007).
10.Dunne, F.P.E., Rugg, D., and Walker, A.: Lengthscale-dependent, elastically anisotropic, physically-based hcp crystal plasticity: Application to cold-dwell fatigue in Ti alloys. Int. J. Plast. 23, 10611083 (2007).
11.Dunne, F.P.E., Walker, A., and Rugg, D.: A systematic study of hcp crystal orientation and morphology effects in polycrystal deformation and fatigue. Proc. R. Soc. A 463, 14671489 (2007).
12.Sinha, V., Mills, M.J., and Williams, J.C.: Understanding the contributions of normal-fatigue and static loading to the dwell fatigue in a near-alpha titanium alloy. Metall. Mater. Trans. A 35, 31413148 (2004).
13.Pilchak, A.L.: Fatigue crack growth rates in alpha titanium: Faceted versus striation growth. Scr. Mater. 68, 277280 (2013).
14.Dunne, F.P.E. and Rugg, D.: On the mechanisms of fatigue facet nucleation in titanium alloys. Fatigue Fract. Eng. Mater. Struct. 31, 949958 (2008).
15.Hennig, R.G., Lenosky, T.J., Trinkle, D.R., Rudin, S.P., and Wilkins, J.W.: Classical potential describes martensitic phase transformations between the alpha, beta, and omega titanium phases. Phys. Rev. B 78, 054121 (2008).
16.Zope, R.R. and Mishin, Y.: Interatomic potentials for atomistic simulations of the Ti–Al system. Phys. Rev. B 68, 024102 (2003).
17.Ackland, G.J.: Theoretical study of titanium surfaces and defects with a new many-body potential. Philos. Mag. A 66, 917932 (1992).
18.Parrinello, M. and Rahman, A.: Polymorphic transitions in single crystals—A new molecular dynamics method. J. Appl. Phys. 52, 71827190 (1981).
19.Nose, S.: A unified formulation of the constant temperature molecular dynamics methods. J. Chem. Phys. 81, 511519 (1984).
20.AtomEye, J.L.: An efficient atomistic configuration viewer. Modell. Simul. Mater. Sci. Eng. 11, 173177 (2003).
21.Plimpton, S.: Fast parallel algorithms for short-range molecular-dynamics. J. Comput. Phys. 117, 119 (1995).
22.Kresse, G. and Furthmuller, J.: Efficiency of ab initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 1550 (1996).
23.Qiu, J., Ma, Y., Lei, J., Liu, Y., Huang, A., Rugg, D., and Yang, R.: A comparative study on dwell fatigue of Ti–6Al–2Sn–4Zr–xMo (x = 2 to 6) alloys on a microstructure-normalized basis. Metall. Mater. Trans. A 45, 60756087 (2014).
24.Gu, X.Y., Xu, D.S., Wang, H., and Yang, R.: Lattice weakening by edge dislocation core under tension. Modell. Simul. Mater. Sci. Eng. 18, 065004 (2010).
25.Sheppard, D., Xiao, P., Chemelewski, W., Johnson, D.D., and Henkelman, G.: A generalized solid-state nudged elastic band method. J. Chem. Phys. 136, 074103 (2012).
26.Liu, X.Y., Adams, J.B., Ercolessi, F., and Moriarty, J.A.: EAM potential for magnesium from quantum mechanical forces. Modell. Simul. Mater. Sci. Eng. 4, 293303 (1996).
27.Liu, B-Y., Wang, J., Li, B., Lu, L., Zhang, X-Y., Shan, Z-W., Li, J., Jia, C-L., Sun, J., and Ma, E.: Twinning-like lattice reorientation without a crystallographic twinning plane. Nat. Commun. 5, 4297 (2014).
28.Zong, H., Ding, X., Lookman, T., Li, J., Sun, J., Cerreta, E.K., Escobedo, A.P., Addessio, F.L., and Bronkhorst, C.A.: Collective nature of plasticity in mediating phase transformation under shock compression. Phys. Rev. B 89, 220101 (2014).
29.Wang, J., Yadav, S.K., Hirth, J.P., Tomé, C.N., and Beyerlein, I.J.: Pure-shuffle nucleation of deformation twins in hexagonal-close-packed metals. Mater. Res. Lett. 1, 126132 (2013).
30.Semiatin, S.L. and Bieler, T.R.: The effect of alpha platelet thickness on plastic flow during hot working of Ti–6Al–4V with a transformed microstructure. Acta Mater. 49, 35653573 (2001).
31.Wang, S.J., Wang, H., Du, K., Zhang, W., Sui, M.L., and Mao, S.X.: Deformation-induced structural transition in body-centered cubic molybdenum. Nat. Commun. 5, 3433 (2014).



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