Analysis and minimization of dislocation interactions with atomistic/continuum interfaces

Modelling and Simulation in Materials Science and Engineering

Volumn 14, Issue 3, 2006, Pages 497-514

  Dewald, M ^a   Curtin, W A ^a  

^a Brown University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DEFORMATION; ELASTICITY; MATHEMATICAL MODELS;

DISLOCATION INTERACTIONS; LINEAR ELASTICITY; MATERIAL DEFORMATIONS;

DISLOCATIONS (CRYSTALS);

EID: 33645743150     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/14/3/011     Document Type: Article

References (26)

1. Rudd R E and Broughton J Q 2000 Concurrent coupling of length scales in solid state systems Phys. Status Solidi b 217 251-91
2. Kohlhoff S, Gumbsch P and Fischmeister H F 1991 Crack propagation in BCC crystals studied with a combined finite-element and atomistic model Phil. Mag. A 64 851-78
3. Rudd R E and Broughton J Q 1998 Coarse-grained molecular dynamics and the atomic limit of finite elements Phys. Rev. B 85 R5893-6
4. Wei Cai, de Koning M, Bulatov V V and Yip S 2000 Minimizing boundary reflections in coupled-domain simulations Phys. Rev. Lett 85 3213-6
5. Shenoy V B, Miller R, Tadmor E B, Rodney D, Phillips R and Ortiz M 1999 An adaptive finite element approach to atomic-scale mechanics-the quasicontinuum approach J. Mech. Phys. Solids 47 611-42
6. Shenoy V B, Miller R, Tadmor E B, Phillips R and Ortiz M 1998 Quasicontinuum models of interfacial structure and deformation Phys. Rev. Lett. 80 742-5
7. Miller R E and Tadmor E B 2002 The quasicontinuum method: overview, applications and current directions J. Comput.-Aided Mater. Des. 9 203-39
8. Shilkrot L E, Curtin W A and Miller R E 2002 A coupled atomistic/continuum model of defects in solids J. Mech. Phys. Solids 50 2085-106
9. Shilkrot L E, Miller R E and Curtin W A 2002 Coupled atomistic and discrete dislocation plasticity Phys. Rev. Lett. 89 025501-1-025501-4
10. Miller R E, Shilkrot L E and Curtin W A A Coupled atomistics and discrete dislocation plasticity simulation of nanoindentation into single crystal thin films Acta Mater. 52 271-84
11. Shilkrot L E, Miller R E and Curtin W A 2004 Multiscale plasticity modeling: coupled atomistics and discrete dislocation mechanics J. Mech. Phys. Solids 52 755-87
12. Curtin W A and Miller R E 2003 Atomistic/continuum coupling in computational material science Modelling Simul. Mater. Sci. Eng. 11 R33-R68
13. Rao S, Hernandez C, Simmons J P, Parthasarathy T A and Woodward C 1998 Green's function boundary conditions in two-dimensional and three-dimensional atomistic simulations of dislocations Phil. Mag. A 77 231-56
14. Woodward C and Rao S I 2004 Ab-initio simulation of (a/2) < 110 screw dislocations in γ-TiAl Phil. Mag 21 401-13
15. Van der Giessen E and Needleman A 1995 Discrete dislocation plasticity: a simple planar model Modelling Simul. Mater. Sci. Eng. 3 689-735
16. Hirth J P and Lothe J 1982 Theory of Dislocations 2nd edn (New York: Wiley)
17. Ercolessi F and Adams J B 1994 Interatomic potentials from first-principles calculations: the force-matching method Europhys. Lett. 26 583-97
18. Kubin L and Canova G 1992 The modeling of dislocation patterns Scr. Metall. Mater. 27 957-62
19. Zbib H M, Rhee M and Hirth J P 1998 On plastic deformation and the dynamics of 3D dislocations Int. J. Mech. Sci. 40 113-27
20. Schwarz K W 1997 Interaction of dislocations on crossed glide planes in a strained epitaxial layer Phys. Rev. Lett. 78 4785-8
21. Olmsted D L, Hector L G, Curtin W A and Clifton R J 2005 Atomistic simulations of dislocation mobility in Al, Ni and Al/Mg alloys Modelling Simul. Mater. Sci. Eng. 13 371-88
22. Van Swygenhoven H, Caro A and Farkas D 2001 Grain boundary structure and its influence on plastic deformation of polycrystalline FCC metals at the nanoscale: a molecular dynamics study Scr. Mater. 44 1513-16
23. Yamakov V, Wolf D, Phillpot S R, Mukherjee A K and Gleiter H 2002 Dislocation processes in the deformation of nanocrystalline aluminum by molecular-dynamics simulation Nature Mater. 1 45-8
24. Hai S and Tadmor E B 2003 Deformation twinning at aluminum crack tips Acta Mater. 51 117-31
25. Farkas D 2005 Twinning and recrystallisation as crack tip deformation mechanisms during fracture Phil. Mag. 85 387-97
26. Qu S, Shastry V, Curtin W A and Miller R E 2005 A finite temperature dynamic coupled atomistic discrete dislocation method Modelling Simul. Mater. Sci. Eng. 13 1101-18