Singular orientations and faceted motion of dislocations in body-centered cubic crystals

Proceedings of the National Academy of Sciences of the United States of America

Volumn 109, Issue 38, 2012, Pages 15174-15178

  Kang, Keonwook ^a,c   Bulatov, Vasily V ^b   Cai, Wei ^a  

^a Stanford University   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^c LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

Anisotropic mobility; Metal plasticity; Molecular dynamics; Molecular statics; Thermally activated motion

Indexed keywords

TANTALUM;

ANISOTROPY; ARTICLE; CALCULATION; CONTROLLED STUDY; CRYSTAL STRUCTURE; DISLOCATION MOBILITY; MECHANICAL STRESS; MOLECULAR DYNAMICS; MOTION; PEIERLS STRESS; PHYSICAL PARAMETERS; PRIORITY JOURNAL; RIGIDITY; SIMULATION; SINGULAR ORIENTATION;

ALGORITHMS; ANISOTROPY; CRYSTALLIZATION; HOT TEMPERATURE; METALS; MODELS, STATISTICAL; MOLECULAR DYNAMICS SIMULATION; MOTION; PRESSURE; SOFTWARE; STRESS, MECHANICAL; TEMPERATURE;

EID: 84866559461     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1206079109     Document Type: Article

References (39)

1. Taylor GI (1934) Plastic deformation of crystals. Proc Roy Soc A 145:362-404.
2. Orowan E (1934) Plasticity of crystals. Zeit Phys 89:605-659.
3. PolanyiM (1934) Lattice distortion which originates plastic flow. Zeit Phys 89:660-662.
4. Cottrell AH (1953) Dislocations and Plastic Flow in Crystals (Clarendon Press, Oxford).
5. Hirth JP, Lothe J (1982) Theory of Dislocations (Wiley, New York).
6. Read WT, Shockley W (1950) Dislocation models of crystal grain boundaries. Phys Rev 78:275-289.
7. Ackland GJ, Thetford R (1987) An improved N-body semi-empirical model for bodycentred cubic transition metals. Philos Mag A 56:15-30.
8. Vitek V (1974) Theory of the core structures of dislocations in body-centered cubic metals. Cryst Latt Def 5:1-34.
9. Yamaguchi M, Vitek V (1973) Core structure of nonscrew 1/2 h111i dislocations on f110g planes in bcc crystals I. Core structure in an unstressed crystal. J Phys F Metal Phys 3:523-536.
10. Peierls R (1940) The size of a dislocation. Proc Phys Soc 52:34-43.
11. Nabarro FRN (1947) Dislocations in a simple cubic lattice. Proc Phys Soc 59:256-272.
12. Joos B, Duesbery MS (1997) The Peierls stress of dislocations: An analytical formula. Phys Rev Lett 78:266-269. (Pubitemid 127647445)
13. Dirichlet Function, Wolfram Mathworld, Wolfram Web Resources, http://mathworld.wolfram.com/DirichletFunction.html.
14. Simmons JP, Rao SI, Dimiduk DM (1997) Atomistics simulations of structures and properties of 1/2 〈110〉 dislocations using three different embedded-atom method potentials fit to ã-TiAl. Philos Mag A 75:1299-1328.
15. Brailsford AD (1965) Effective line tension of a dislocation. Phys Rev 139:A1813-A1817.
16. Cash WD, CaiW (2011) Dislocation contribution to acoustic nonlinearity: The effect of orientation-dependent line energy. J Appl Phys 109:014915 Eq. (15).
17. Kelchner CL, Plimpton SJ, Hamilton JC (1998) Dislocation nucleation and defect structure during surface indentation. Phys Rev B 58:11085-11088. (Pubitemid 128481787)
18. Honeycutt JD, Andersen HC (1987) Molecular dynamics study of melting and freezing of small Lennard-Jones clusters. J Phys Chem 91:4950-4963.
19. Ackland GJ, Jones AP (2006) Applications of local structure measures in experiment and simulation. Phys Rev B 73:054104.
20. Abraham FF, Walkup R, Gao H, Duchaineau HM, de La Rubia TD, Seager M (2002) Simulating materials failure by using up to one billion atoms and the world's fastets computer: Work hardening. Proc Natl Acad Sci USA 99:5783-5787. (Pubitemid 34493216)
21. Duesbery MS, Xu W (1998) The motion of edge dislocations in body-centered cubic metals. Script Mater 39:283287.
22. Chang J, Bulatov VV, Yip S (1999) Molecular dynamics study of edge dislocation motion in a BCC metal. J Comput-Aided Mater Des 6:165173.
23. Chang J, Cai W, Bulatov VV, Yip S (2002) Molecular dynamics simulations of motion of edge and screw dislocations in a metal. Comput Mater Sci 23:111115.
24. Petukhov BV (1983) Conditions on impurity disordering effects realization in materials. Fiz Met Metalloved (USSR) 56:1177-1185.
25. Christian JW, Masters BC (1964) Low-temperature deformation of body-centered cubic metals. P Roy Soc Lond A Mat 281:223-257.
26. Marian J, CaiW, Bulatov VV (2004) Dynamic transitions from smooth to rough to twinning in dislocation motion. Nat Mater 3:158-163.
27. Terentyev D, Bacon DJ, Osetsky YN (2008) Interaction of an edge dislocation with voids in α-iron modelled with different interatomic potentials. J Phys Condens Matter 20:445007.
28. Jackson K (2004) Kinetic Processes: Crystal Growth, Diffusion and Phase Transitions in Materials (Wiley-VCH, Weinheim).
29. Nikitenko VI, Eremenko VG (1972) Electron-microscope investigation of microplastic deformation mechanisms in silicon by indentation. Phys Stat Solidi A 14:317-330.
30. Balk TJ, Kumar M, Hemker KJ (2001) Influence of Fe substitutions on the deformation behavior and fault energies in Ni3Ge-Fe3Ge L12 intermetallic alloys. Acta Mater 49:1725-1736. (Pubitemid 32432011)
31. Boudet A, Kubin LP (1975) Exhaustion mechanisms in the preyield domain of niobium single crystals at low temperatures. J Phys 36:823-833.
32. WasserbachW (1996) Work-hardening and dislocation behavior of tantalum and tantalum alloys. Proceedings of TMS Meeting .
33. Kaufmann H-J, Luft A, Schulze D (1984) Deformation mechanism and dislocation structure of high-purity molybdenum single crystals at low temperatures. Crystal Res Technol 19:357-372.
34. Takeuchi S, Maeda K (1997) Slip in high purity tantalum between 0.7 and 40 K. Acta Metall 25:1485-1490.
35. The MD++ simulation program, http://micro.stanford.edu/MDpp.
36. The LAMMPS simulation program, http://lammps.sandia.gov.
37. Bulatov VV, Cai W (2006) Computer Simulations of Dislocations. (Oxford University Press, Oxford), Chap. 4.
38. Cai W, Li J, Yip S (2012) Molecular Dynamics, Comprehensive Nuclear Materials, ed RJM Konings (Elsevier, Amsterdam), 1, pp 249-265.
39. Bulatov VV, Cai W, Baran R, Kang K (2006) Geometric aspects of the ideal shear resistance in simple crystal lattices. Philos Mag 86:1-11.