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The generalized planar fault energy, including the generalized stacking fault (GSF) and the generalized twinning fault energy (GTF) of body-centered cubic metal Ta are investigated based on the embedded atom potential. The GSF of Ta, much different from that of fcc metal, reveals that no evident energy minimum is observed in the energy curve. This implies that only full dislocations are possibly emitted in the {112} slip plane. From the GTF it is predicted that the minimum thickness of a metastable twin is as large as four layers and the five-layer twin is more stable. The incipient twin Ta tends to grow thicker once it is created. To confirm the significance of the GSF and GTF in revealing incipient plasticity, quasicontinuum method is used to simulate the mode Ⅱ crack of single Ta crystal. The results show that deformation twin and full dislocation along direction in {112} plane are two co-existing mechanisms of crack tip plastic deformation. The initial four-layer twin quickly extends into five-layer and more-layer twins with further loading. A full dislocation is emitted into the front of the crack tip in {112} plane. These two plastic deformation mechanisms are well explained by the GTF and the GSF respectively.
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Keywords:
- generalized stacking fault /
- generalized twining fault /
- body-centered cubic Ta /
- Ⅱ-type crack tip
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[2] Hoshino T, Kumamoto K, Kokubun K, Ishimaru T 1995 Phys. Rev. B 51 14594
[3] Thornton P R, Hirsch P B 1958 Phil. Mag. 3 738
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[5] Howie A, Swann P R 1961 Phil. Mag. 6 1215
[6] Cockayne D J H, Jenkins M L, Ray I L F 1971 Phil. Mag. 192 1383
[7] Schweizer S, Elssser C, Hummler K, Fhnle M 1992 Phys. Rev. B 46 14270
[8] Ferreira P J, Müllner P 1998 Acta Mater. 46 4479
[9] Rice J R 1992 J. Mech. Phys. Solids 40 239
[10] Tadmor E B, Hai S 2003 J. Mech. Phys. Solids 51 765
[11] Van Swygenhoven H, Derlet P M, Frseth A G 2004 Nat. Mater. 3 399
[12] Frseth A G, Derlet P M, Van Swygenhoven H 2004 Appl. Phys. Lett. 85 5863
[13] Zimmerman J A, Gao H, Abraham F F 2000 Model. Simul. Mater. Sci. Eng. 8 103
[14] Datta A, Waghmare U V, Ramamurty U 2009 Scripta Mater. 60 124
[15] Wei X M, Zhang J M, Xu K W 2008 Mater. Sci. Eng. A 486 540
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[22] Cardonne S M, Kumar P, Michaluk C A, Schwartz H D 1995 Int. J. Refract. Met. Hard Mater. 13 187
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[25] Pan Z, Li Y, Wei Q 2008 Acta Mater. 56 3470
[26] Murr L E, Meyers M A, Niou C S, Chen Y J, Pappu S, Kennedy C 1997 Acta Mater. 45 157
[27] Guo Y F, Wang C Y, Wang Y S 2004 Phil. Mag. Lett. 84 763
[28] Farkas D 2005 Phil. Mag. Lett. 85 387
[29] Daw M S, Baskes M I 1984 Phys. Rev. B 29 6443
[30] Li Y H, Siegel D J, Adams J B, Liu X Y 2003 Phys. Rev. B 67 125101
[31] Featherston F H, Neighbours J R 1963 Phys. Rev. 130 1324
[32] Guo Y F, Wang CY, Zhao D L 2003 Mater. Sci. Eng. A 349 29
[33] Cao L X, Wang C Y 2007 Acta Phys. Sin. 56 413 (in Chinese) [曹莉霞、王崇愚 2007 56 413]
[34] Tadmor E B, Ortiz M, Phillips R 1996 Phil. Mag. A 73 1529
[35] Tadmor E B, Miller R, Phillips R, Ortiz M 1999 J. Mater. Res. 14 2233
[36] Miller R, Tamdor E B, Phillips R, Ortiz M 1998 Model. Simul. Mater. Sci. Eng. 6 607
[37] Shenoy V B, Miller R, Tadmor E B, Phillips R, Ortiz M 1998 Phys. Rev. Lett. 80 742
[38] Wang H T, Qin Z D, Ni Y S, Zhang W 2009 Acta Phys. Sin. 58 1057 (in Chinese) [王华滔、秦昭栋、倪玉山、张 文 2009 58 1057]
[39] Shenoy V B, Miller R, Tadmor E B, Rodney D, Phillips R, Ortiz M 1999 J. Mech. Phys. Solids 47 611
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[1] Komura S, Horita Z, Nemoto M, Langdon T G 1999 J. Mater. Res. 14 4044
[2] Hoshino T, Kumamoto K, Kokubun K, Ishimaru T 1995 Phys. Rev. B 51 14594
[3] Thornton P R, Hirsch P B 1958 Phil. Mag. 3 738
[4] Rohatgi A, Vecchio K S, Gray G T 2001 Metall. Mater. Trans. A 32 135
[5] Howie A, Swann P R 1961 Phil. Mag. 6 1215
[6] Cockayne D J H, Jenkins M L, Ray I L F 1971 Phil. Mag. 192 1383
[7] Schweizer S, Elssser C, Hummler K, Fhnle M 1992 Phys. Rev. B 46 14270
[8] Ferreira P J, Müllner P 1998 Acta Mater. 46 4479
[9] Rice J R 1992 J. Mech. Phys. Solids 40 239
[10] Tadmor E B, Hai S 2003 J. Mech. Phys. Solids 51 765
[11] Van Swygenhoven H, Derlet P M, Frseth A G 2004 Nat. Mater. 3 399
[12] Frseth A G, Derlet P M, Van Swygenhoven H 2004 Appl. Phys. Lett. 85 5863
[13] Zimmerman J A, Gao H, Abraham F F 2000 Model. Simul. Mater. Sci. Eng. 8 103
[14] Datta A, Waghmare U V, Ramamurty U 2009 Scripta Mater. 60 124
[15] Wei X M, Zhang J M, Xu K W 2008 Mater. Sci. Eng. A 486 540
[16] He G, Rong Y H,Xu Z Y 2000 Sci. Chin. E 30 1 (in Chinese) [何 刚、戎咏华、徐祖耀 2000 中国科学E 30 1]
[17] Zhang J M, Wu X J, Huang Y H, Xu K W 2006 Acta Phys. Sin. 55 393 (in Chinese) [张建民、吴喜军、黄育红、徐可为 2006 55 393]
[18] Xie H Y, Wang C Y, Yu T, Du J P 2009 Chin. Phys. B 18 251
[19] Yun Y, Kwon S C, Kim W W 2007 Comput. Phys. Commun. 177 49
[20] Machov A, Beltz G E, Chang M 1999 Model. Simul. Mater. Sci. Eng. 7 949
[21] Yan J A, Wang C Y, Wang S Y 2004 Phys. Rev. B 70 174105
[22] Cardonne S M, Kumar P, Michaluk C A, Schwartz H D 1995 Int. J. Refract. Met. Hard Mater. 13 187
[23] Buckman R W 2000 J. Mater. 52 40
[24] Wang Y M, Hodge A M, Biener J, Hamza A V 2005 Appl. Phys. Lett. 86 101915
[25] Pan Z, Li Y, Wei Q 2008 Acta Mater. 56 3470
[26] Murr L E, Meyers M A, Niou C S, Chen Y J, Pappu S, Kennedy C 1997 Acta Mater. 45 157
[27] Guo Y F, Wang C Y, Wang Y S 2004 Phil. Mag. Lett. 84 763
[28] Farkas D 2005 Phil. Mag. Lett. 85 387
[29] Daw M S, Baskes M I 1984 Phys. Rev. B 29 6443
[30] Li Y H, Siegel D J, Adams J B, Liu X Y 2003 Phys. Rev. B 67 125101
[31] Featherston F H, Neighbours J R 1963 Phys. Rev. 130 1324
[32] Guo Y F, Wang CY, Zhao D L 2003 Mater. Sci. Eng. A 349 29
[33] Cao L X, Wang C Y 2007 Acta Phys. Sin. 56 413 (in Chinese) [曹莉霞、王崇愚 2007 56 413]
[34] Tadmor E B, Ortiz M, Phillips R 1996 Phil. Mag. A 73 1529
[35] Tadmor E B, Miller R, Phillips R, Ortiz M 1999 J. Mater. Res. 14 2233
[36] Miller R, Tamdor E B, Phillips R, Ortiz M 1998 Model. Simul. Mater. Sci. Eng. 6 607
[37] Shenoy V B, Miller R, Tadmor E B, Phillips R, Ortiz M 1998 Phys. Rev. Lett. 80 742
[38] Wang H T, Qin Z D, Ni Y S, Zhang W 2009 Acta Phys. Sin. 58 1057 (in Chinese) [王华滔、秦昭栋、倪玉山、张 文 2009 58 1057]
[39] Shenoy V B, Miller R, Tadmor E B, Rodney D, Phillips R, Ortiz M 1999 J. Mech. Phys. Solids 47 611
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