|
|
On the properties of <111>{110} dissociated superdislocation in B2 structure YAg and YCu: Core structure and Peierls stress |
Xiao-zhi WU(), Shao-feng WANG |
Institute for Structure and Function, Chongqing University, Chongqing 400044, China |
|
|
Abstract The simplified one-dimensional dislocation equation for mixed dislocations is derived briefly from the two-dimensional modified Peierls-Nabarro equation taking into account the discreteness effect of crystals. The collinear dissociated core structure of <111>{110} superdislocations in the novel B2 structure YAg and YCu are investigated with the simplified equation. Both the core width and the dissociated width are increasing with the increases in the dislocation angle of superdislocations. The dissociated width determined by continuum elastic theory is inaccurate for the high antiphase boundary energy but is recovered for the low antiphase boundary energy. The Peierls stress of the dissociated dislocation is replaced by that of superpartials. The results show that both the unstable stacking fault energy and the core width are crucial for the Peierls stress in the case of a narrow core structure. However, the core width becomes the main factor in controlling the Peierls stress in the case of a wide core.
|
Keywords
core structure
dissociation width
variational method
Peierls stress
|
Corresponding Author(s):
WU Xiao-zhi,Email:xiaozhi3270@sina.com.cn
|
Issue Date: 05 June 2009
|
|
1 |
Medvedeva N I, Mryasov O N, Gornostyrev Y N, . First-principles total-energy calculations for planar shear and cleavage decohesion processes in B2-ordered NiAl and FeAl. Physical Review B , 1996, 54: 13506–13514 doi: 10.1103/PhysRevB.54.13506
|
2 |
Schoeck G. The core structure of dissociated dislocations in NiAl. Acta Materialia , 2001, 49: 1179–1187 doi: 10.1016/S1359-6454(01)00030-1
|
3 |
Gschneidner K A, Russell A M, Pecharsky A, . A family of ductile intermetallic compounds. Nature Materials , 2003, 2: 587–591 doi: 10.1038/nmat958
|
4 |
Morris J R, Ye Y Y, Lee Y B, . Ab initio calculation of bulk and defect properties of ductile rare-earth intermetallic compounds. Acta Materialia , 2004, 52: 4849–4857 doi: 10.1016/j.actamat.2004.06.050
|
5 |
Xie S, Russell A M, Becker A T, . Dislocation core structures in YAg, a ductile B2 CsCl-type intermetallic compound. Scripta Materialia , 2008, 58: 1066–1069 doi: 10.1016/j.scriptamat.2008.01.055
|
6 |
Shi Y J, Du Y L, Chen G, . First principle study on phase stability and electronic structure of YCu. Physics Letter A , 2007, 368: 495–498 doi: 10.1016/j.physleta.2007.04.047
|
7 |
Tao X M, Ouyang Y F, Liu H S, . Ab initio calculations of mechanical and thermodynamic properties for the B2-based AlRE. Computational Materials Science , 2007, 40(2): 226–233 doi: 10.1016/j.commatsci.2006.12.001
|
8 |
Zhang Z, Russell A M, Biner S B, . Fracture toughness of polycrystalline YCu, DyCu and YAg. Intermetallics , 2005, 13: 559–564 doi: 10.1016/j.intermet.2004.09.008
|
9 |
Wu X Z, Wang S F, Liu R P. On the core structure and mobility of <100>{010} and <100>{011 ˉ} dislocations in B2 structure YAg and YCu (submitted)
|
10 |
Wang S F. Lattice theory for structure of dislocations in a two-dimensional triangular crystal. Physical Review B , 2002, 65: 094111 doi: 10.1103/PhysRevB.65.094111
|
11 |
Wang S F. A unified dislocation equation from lattice statistics. Journal of Physics A: Mathematical and Theoretical , 2009, 42: 025208 doi: 10.1088/1751-8113/42/2/025208
|
12 |
Wu X Z, Wang S F. The extended core structure of dissociated edge dislocations in fcc crystals with the consideration of discreteness. Acta Mechanica Solida Sinica , 2008, 21: 403–410
|
13 |
Mryasov O N, Gornostyrev Y N, Schilfgaarde M, . Superdislocation core structure in L12 Ni3Al, Ni3Ge and Fe3Ge: Peierls-Nabarro analysis starting from ab-initio GSF energetics calculations. Acta Materialia , 2002, 50(18): 4545–4554 doi: 10.1016/S1359-6454(02)00282-3
|
14 |
Zhang Y, Yao Y. The two-dimensional Peierls-Nabarro model for interfacial misfit dislocation network of cubic lattice. The European Physical Journal B , 2007, 55: 355–362 doi: 10.1140/epjb/e2007-00072-0
|
15 |
Joós B, Ren Q, Duesbery M S. Peierls-Nabarro model of dislocations in silicon with generalized stacking-fault restoring forces. Physical Review B , 1994, 50(9): 5890–5898 doi: 10.1103/PhysRevB.50.5890
|
16 |
Lej?ek L. Dissociated dislocations in the Peierls-Nabarro model. Czechoslovak Journal Physics B , 1976, 26: 294–299 doi: 10.1007/BF01594267
|
17 |
Wang S F, Wu X Z, Wang Y F. Variational principle for the dislocation equation in lattice theory. Physica Scripta , 2007, 76: 593–596 doi: 10.1088/0031-8949/76/5/029
|
18 |
Hirth J P, Lothe J. Theory of Dislocations. New York: John Wiley, 2nd ed., 1982
|
19 |
Nabarro F R N. Fifty-year study of the Peierls-Nabarro stress. Materials Science and Engineering: A , 1997, 234–236: 67–76 doi: 10.1016/S0921-5093(97)00184-6
|
20 |
Wang J N. Prediction of Peierls stress for different crystal. Materials Science and Engineering: A , 1996, 206: 259–269 doi: 10.1016/0921-5093(95)09982-4
|
21 |
Ogata S, Li J, Yip S. Ideal pure shear strength of aluminum and copper. Science , 2002, 298: 807–811 doi: 10.1126/science.1076652
|
22 |
Wang S F. Dislocation energy and Peierls stress: a rigorous calculation from the lattice theory. Chinese Physics , 2007, 15(6): 1301–1309
|
23 |
Wu X Z, Wang S F. Application of parametric derivation method to the calculation of Peierls energy and Peierls stress in lattice. Acta Mechanica Solida Sinica , 2007, 20(4): 363–368
|
24 |
Joós B, Duesbery M S. The Peierls stress of dislocations: an analytic formula. Physical Review Letters , 1997, 78: 266–269 doi: 10.1103/PhysRevLett.78.266
|
|
Viewed |
|
|
|
Full text
|
|
|
|
|
Abstract
|
|
|
|
|
Cited |
|
|
|
|
|
Shared |
|
|
|
|
|
Discussed |
|
|
|
|