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Atomistic simulation of sliding of [1010] tilt grain boundaries in Mg

Published online by Cambridge University Press:  31 January 2011

Hao Zhang
Hao Zhang*
Affiliation:
Department of Chemical and Materials Engineering, University of Alberta, Edmonton AB T6G 2V4, Canada
*
a) Address all correspondence to this author. e-mail: hao.zhang@ualberta.ca
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Abstract

A series of molecular dynamics simulations was performed to study grain boundary sliding of three types of [101¯0] tilt grain boundaries in a magnesium bicrystal. In particular, a near Σ11 twin boundary, an asymmetric near Σ11 twin boundary, and a θ = 40.3° general [101¯0] tilt grain boundary were studied. Simulations showed that grain boundary sliding (a rigid motion of two grains relative to each other along boundary plane) did not occur over the stress range applied; instead, coupled shear motion (grain boundary sliding induced boundary migration) was dominant. Although the measured coupling coefficient, the ratio of boundary tangential displacement to boundary normal displacement, was in good agreement with theoretical prediction, the detailed shear behavior was different, depending on types of grain boundary, magnitude of applied shear stress, and temperature. It was also noted that grain boundary twining was the predominant mechanism that allowed the coupled shear motion to occur in hexagonal close-packed (HCP) magnesium.

Keywords

Grain boundariesMgSimulation
Type
Articles
Information
Journal of Materials Research , Volume 24 , Issue 11 , November 2009 , pp. 3446 - 3453
Copyright
Copyright © Materials Research Society 2009

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References

1.Friedrich, H.E., Mordike, B.L., and (Firm), Knovel: Magnesium Technology Metallurgy, Design Data, Applications (Springer, New York, 2006).Google Scholar
2.Mordike, B.L., Kainer, K.U., and Volkswagenwerk, : Magnesium Alloys and Their Applications (Werkstoff-Informationsgesellschaft, Frankfurt, Germany, 1998).Google Scholar
3.Cheng, Y.Q., Chen, Z.H., Xia, W.J., and Zhou, T.: Effect of channel clearance on crystal orientation development in AZ31 magnesium alloy sheet produced by equal channel angular rolling. J. Mater. Process. Technol. 184, 97 (2007).CrossRefGoogle Scholar
4.Guo, Q., Yan, H.G., Chen, Z.H., Wu, Y.Z., and Chen, J.: Evolution of the grain orientation of AZ80 magnesium alloy during multiple forging process. Acta Metall. Sinica 43, 619 (2007).Google Scholar
5.Watanabe, H., Mukai, T., and Ishikawa, K.: Effect of temperature of differential speed rolling on room temperature mechanical properties and texture in an AZ31 magnesium alloy. J. Mater. Process. Technol. 182, 644 (2006).CrossRefGoogle Scholar
6.Mccormick, P.G.: Model for Portevin-Le Chatelier effect in substitutional alloys. Acta Metall. 20, 351 (1972).CrossRefGoogle Scholar
7.Mohri, T., Mabuchi, M., Nakamura, M., Asahina, T., Iwasaki, H., Aizawa, T., and Higashi, K.: Microstructural evolution and superplasticity of rolled Mg-9Al-1Zn. Mater. Sci. Eng., A 290, 139 (2000).CrossRefGoogle Scholar
8.Cahn, J.W. and Taylor, J.E.: A unified approach to motion of grain boundaries, relative tangential translation along grain boundaries, and grain rotation. Acta Mater. 52, 4887 (2004).CrossRefGoogle Scholar
9.Molodov, D.A., Ivanov, V.A., and Gottstein, G.: Low angle tilt boundary migration coupled to shear deformation. Acta Mater. 55, 1843 (2007).CrossRefGoogle Scholar
10.Cahn, J.W., Mishin, Y., and Suzuki, A.: Coupling grain boundary motion to shear deformation. Acta Mater. 54, 4953 (2006).CrossRefGoogle Scholar
11.Zhang, H., Du, D., and Srolovitz, D.J.: Effects of boundary inclination and boundary type on shear-driven grain boundary migration. Philos. Mag. 88, 243 (2008).CrossRefGoogle Scholar
12.Sutton, A.P. and Balluffi, R.W.: Interfaces in Crystalline Materials (Clarendon Press, Oxford, New York, 1995).Google Scholar
13.Saylor, D.M., Dasher, B.El, Sano, T., and Rohrer, G.S.: Distribution of grain boundaries in SrTiO3as a function of five macroscopic parameters. J. Am. Ceram. Soc. 87, 670 (2004).CrossRefGoogle Scholar
14.Saylor, D.M., Dasher, B.S.El, Rollett, A.D., and Rohrer, G.S.: Distribution of grain boundaries in aluminum as a function of five macroscopic parameters. Acta Mater. 52, 3649 (2004).CrossRefGoogle Scholar
15.Randle, V. and Engler, O.: Introduction to Texture Analysis: Macrotexture, Microtexture and Orientation Mapping (Gordon Breach, Amsterdam, The Netherlands, 2000).CrossRefGoogle Scholar
16.Bozzolo, N., Sawina, G., Gerspach, F., Sztwiertnia, K., Rollett, A.D., and Wagner, F.: Grain boundary character evolution during grain growth in a Zr alloy. Mater. Sci. Forum 558–559, 863 (2007).CrossRefGoogle Scholar
17.Gottstein, G. and Shvindlerman, L.S.: Grain Boundary Migration in Metals: Thermodynamics, Kinetics, Applications (CRC Press, Boca Raton, FL, 1999).Google Scholar
18.Bonnet, R. and Cousineau, E.: Computation of coincident and near-coincident cells for any 2 latticesRelated Dsc-1 and Dsc- 2 lattices. Acta Crystallogr., Sect. A 33, 850 (1977).CrossRefGoogle Scholar
19.Bonnet, R., Cousineau, E., and Warrington, D.H.: Determination of near-coincident cells hexagonal crystalsRelated Dsc lattices. Acta Crystallogr., Sect. A 37, 184 (1981).CrossRefGoogle Scholar
20.Sun, D.Y., Mendelev, M.I., Becker, C.A., Kudin, K., Haxhimali, T., Asta, M., Hoyt, J.J., Karma, A., and Srolovitz, D.J.: Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg. Phys. Rev. B 73, 024116 (2006).CrossRefGoogle Scholar
21.Daw, M.S. and Baskes, M.I.: Semiempirical, quantum-mechanical calculation of hydrogen embrittlement in metals. Phys. Rev. Lett. 50, 1285 (1983).CrossRefGoogle Scholar
22.Daw, M.S. and Baskes, M.I.: Embedded-atom methodDerivation and application to impurities, surfaces, and other defects in metals. Phys. Rev. B 29, 6443 (1984).CrossRefGoogle Scholar
23.Plimpton, S.: Fast parallel algorithms for short-range moleculardynamics. J. Comput. Phys. 117, 1 (1995).CrossRefGoogle Scholar
24.Gemming, T., Nufer, S., Kurtz, W., and Ruhle, M.: Structure and chemistry of symmetrical tilt grain boundaries in alpha-Al2O3: II, bicrystals with Y at the interface. J. Am. Ceram. Soc. 86, 590 (2003).CrossRefGoogle Scholar
25.Brown, J.A. and Mishin, Y.: Dissociation and faceting of asymmetrical tilt grain boundaries: Molecular dynamics simulations of copper. Phys. Rev. B 76, 134118 (2007).CrossRefGoogle Scholar
26.Yan, Y.F., Al-Jassim, M.M., and Jones, K.M.: Characterization of extended defects in polycrystalline CdTe thin films grown by close-spaced sublimation. Thin Solid Films 389, 75 (2001).CrossRefGoogle Scholar
27.Conrad, H., Armstrong, R., Wiedersich, H., and Schoeck, G.: Thermally-activated glide in magnesium crystals from 4.2- degrees-K to 420-degrees-K. Philos. Mag. 6, 177 (1961).CrossRefGoogle Scholar
28.Jiang, L., Jonas, J.J., Mishra, R.K., Luo, A.A., Sachdev, A.K., and Godet, S.: Twinning and texture development in two Mg alloys subjected to loading along three different strain paths. Acta Mater. 55, 3899 (2007).CrossRefGoogle Scholar
29.Jiang, L., Jonas, J.J., Luo, A.A., Sachdev, A.K., and Godet, S.: Twinning-induced softening in polycrystalline AM30 Mg alloy at moderate temperatures. Scr. Mater. 54, 771 (2006).CrossRefGoogle Scholar
30.Yoo, M.H.: Slip, twinning, and fracture in hexagonal close-packed metals. Metall. Trans. A 12, 409 (1981).CrossRefGoogle Scholar