Dislocation-core symmetry and slip planes in tungsten alloys: Ab initio calculations and microcantilever bending experiments
作者： Hong Li , Stefan Wurster , Christian Motz , Lorenz Romaner , Claudia Ambrosch-Draxl
DOI: 10.1016/J.ACTAMAT.2011.10.031
关键词:
摘要: Dislocation structure and slip plane are two key elements to understanding the basic mechanism of plastic deformation in metal alloys. Using density-functional theory (DFT), we …
elsevier.com
sci-hub.se 参考文章(40)
William D Nix, Theory of Dislocations ,(1968)
Joseph R. Stephens, Dislocation structures in single-crystal tungsten and tungsten alloys Metallurgical and Materials Transactions B. ,vol. 1, pp. 1293- 1301 ,(1970) , 10.1007/BF02900246
S. Chiesa, M.R. Gilbert, S.L. Dudarev, P.M. Derlet, H. Van Swygenhoven, The non-degenerate core structure of a ½⟨111⟩ screw dislocation in bcc transition metals modelled using Finnis–Sinclair potentials: The necessary and sufficient conditions Philosophical Magazine. ,vol. 89, pp. 3235- 3243 ,(2009) , 10.1080/14786430903250835
Alex Zunger, S.-H. Wei, L. G. Ferreira, James E. Bernard, Special quasirandom structures. Physical Review Letters. ,vol. 65, pp. 353- 356 ,(1990) , 10.1103/PHYSREVLETT.65.353
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
N. I. Medvedeva, Yu. N. Gornostyrev, A. J. Freeman, Solid solution softening in bcc Mo alloys: Effect of transition-metal additions on dislocation structure and mobility Physical Review B. ,vol. 72, pp. 134107- ,(2005) , 10.1103/PHYSREVB.72.134107
Søren L. Frederiksen, Karsten W. Jacobsen, Density functional theory studies of screw dislocation core structures in bcc metals Philosophical Magazine. ,vol. 83, pp. 365- 375 ,(2003) , 10.1080/0141861021000034568
Lisa Ventelon, F. Willaime, Core structure and Peierls potential of screw dislocations in α -Fe from first principles: cluster versus dipole approaches Journal of Computer-aided Materials Design. ,vol. 14, pp. 85- 94 ,(2007) , 10.1007/S10820-007-9064-Y
Sohrab Ismail-Beigi, TA Arias, None, Ab InitioStudy of Screw Dislocations in Mo and Ta: A New Picture of Plasticity in bcc Transition Metals Physical Review Letters. ,vol. 84, pp. 1499- 1502 ,(2000) , 10.1103/PHYSREVLETT.84.1499
C. Woodward, S. I. Rao, Flexible Ab initio boundary conditions: simulating isolated dislocations in bcc Mo and Ta. Physical Review Letters. ,vol. 88, pp. 216402- 216402 ,(2002) , 10.1103/PHYSREVLETT.88.216402