Solid solution softening in bcc Mo alloys: Effect of transition-metal additions on dislocation structure and mobility
作者： N. I. Medvedeva , Yu. N. Gornostyrev , A. J. Freeman
DOI: 10.1103/PHYSREVB.72.134107
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摘要: The electronic origin of solid solution softening (SSS) in bcc molybdenum alloys was investigated in the framework of a combined approach that includes atomistic dislocation modeling with first principles parametrization of interatomic interactions. The softening additions are found to locally change the chemical bonding which results in a decrease of the generalized stacking fault (GSF) energy and atomic row shear resistance. Using the atomic row model, we show that the isotropic core of the screw dislocation in Mo tends to a …
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Y. Kohzuki, T. Ohgaku, Interaction between a dislocation and various divalent impurity in KCl single crystals for the Fleischer's model taking account of the Friedel relation Journal of Materials Science. ,vol. 36, pp. 2009- 2012 ,(2001) , 10.1023/A:1017578814944
H Inui, K Ishikawa, M Yamaguchi, Effects of alloying elements on plastic deformation of single crystals of MoSi2 Intermetallics. ,vol. 8, pp. 1131- 1145 ,(2000) , 10.1016/S0966-9795(00)00049-2
T. E. Mitchell, P. M. Anderson, M. I. Baskes, S. P. Chen, R. G. Hoagland, A. Misra, Nucleation of kink pairs on partial dislocations: a new model for solution hardening and softening Philosophical Magazine. ,vol. 83, pp. 1329- 1346 ,(2003) , 10.1080/0141861021000064196
D. Brunner, J. Diehl, The Effect of Atomic Lattice Defects on the Softening Phenomena of High-Purity α-Iron Physica Status Solidi (a). ,vol. 160, pp. 355- 372 ,(1997) , 10.1002/1521-396X(199704)160:2<355::AID-PSSA355>3.0.CO;2-S
A. H. W. Ngan, A new model for dislocation kink-pair activation at low temperatures based on the Peierls-Nabarro concept Philosophical Magazine. ,vol. 79, pp. 1697- 1720 ,(1999) , 10.1080/01418619908210387
O.Yu. Kontsevoi, O. N. Mryasov, Yu. N. Gornostyrev, A. J. Freeman, M. I. Katsnelson, A. V. Trefilov, Real-space first-principles electronic structure of edge dislocations: NiAl Philosophical Magazine Letters. ,vol. 78, pp. 427- 433 ,(1998) , 10.1080/095008398177832
N. I. Medvedeva, Yu. N. Gornostyrev, A. J. Freeman, Electronic origin of solid solution softening in bcc molybdenum alloys. Physical Review Letters. ,vol. 94, pp. 136402- ,(2005) , 10.1103/PHYSREVLETT.94.136402
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
M. Methfessel, M. Scheffler, Full-potential LMTO calculations for atomic relaxations at semiconductor-semiconductor interfaces Physica B-condensed Matter. ,vol. 172, pp. 175- 183 ,(1991) , 10.1016/0921-4526(91)90429-I
K. Okazaki, Solid-solution hardening and softening in binary iron alloys Journal of Materials Science. ,vol. 31, pp. 1087- 1099 ,(1996) , 10.1007/BF00352911