Dislocation nucleation from bicrystal interfaces and grain boundary ledges: Relationship to nanocrystalline deformation

Journal of the Mechanics and Physics of Solids

Volumn 55, Issue 11, 2007, Pages 2300-2327

  Capolungo, L ^a,c   Spearot, D E ^b   Cherkaoui, M ^a,c   McDowell, D L ^a,c,d   Qu, J ^a,c   Jacob, K I ^c,d  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (France)

^b University of Arkansas   (United States)

^c GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^d Georgia Institute of Technology   (United States)

Author keywords

Dislocations; Micromechanics; Molecular dynamics; Nanocrystalline materials; Thermal activation

Indexed keywords

ENTHALPY; GRAIN BOUNDARIES; MICROMECHANICS; MOLECULAR DYNAMICS; NANOCRYSTALLINE MATERIALS; NUCLEATION;

DISLOCATION SOURCES; MOLECULAR DYNAMICS SIMULATIONS; THERMAL ACTIVATION;

DISLOCATIONS (CRYSTALS);

EID: 35248833746     PISSN: 00225096     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmps.2007.04.001     Document Type: Article

References (69)

1. Arsenlis A., Parks D.M., Becker R., and Bulatov V.J. On the evolution of crystallographic dislocation density in non-homogeneously deforming crystals. J. Mech. Phys. Solids 52 (2004) 1213-1246
2. Asaro R.J., and Suresh S. Mechanistic models for the activation volume and rate sensitivity in metals with nanocrystalline grains and nano-scale twins. Acta Materialia 53 (2005) 3369-3382
3. Asaro R.J., Krysl P., and Kad B. Deformation mechanism transition in nanoscale FCC metals. Philos. Mag. Lett. 83 (2003) 733-743
4. Bachurin D.V., Murzaev R.T., and Nazarov A.A. Atomistic computer and disclination simulation of [0 0 1] tilt boundaries in nickel and copper. Fiz. Met. Metalloved. 96 (2003) 11-17
5. Benkassem S., Capolungo L., and Cherkaoui M. Mechanical properties and multi-scale modeling of nanocrystalline materials. Acta Materialia 55 (2007) 3563-3572
6. Berbenni S., Favier V., Lemoine X., and Berveiller M. Micromechanical modeling of the elastic viscoplastic behavior of polycrystalline steels having different microstructures. Mater. Sci. Eng. A 372 (2004) 128-136
7. Buehler M.J., Hartmaier A., and Gao H.J. Atomistic and continuum studies of crack-like diffusion wedges and associated dislocation mechanisms in thin films on substrates. J. Mech. Phys. Solids 51 (2003) 2105-2125
8. Buehler M.J., Hartmaier A., and Gao H. Hierarchical multi-scale modeling of plasticity of submicron thin metal films. Modeling and Simulation Mater. Sci. Eng. 12 (2004) 391-413
9. Cai B., Kong Q.P., Lu L., and Lu K. Low temperature creep of nanocrystalline pure copper. Mater. Sci. Eng. A 286 (2000) 188-192
10. Cai B., Kong Q.P., Cui P., Lu L., and Lu K. Creep behavior of cold-rolled nanocrystalline pure copper. Scr. Materialia 45 (2001) 1407-1413
11. Capolungo L., Cherkaoui M., and Qu J. A self consistent model for the inelastic deformation of nanocrystalline materials. J. Eng. Mater. Technol. 127 (2005) 400-407
12. Capolungo L., Jochum C., Cherkaoui M., and Qu J. Homogenization method for strength and inelastic behavior of nanocrystalline materials. Int. J. Plasticity 21 (2005) 67-82
13. Capolungo L., Cherkaoui M., and Qu J. On the elastic-viscoplastic behavior of nanocrystalline materials. Int. J. Plasticity 23 (2007) 561-591
14. Coble R.L. A model for boundary diffusion controlled creep in polycrystalline materials. J. Appli. Phys. 34 (1963) 1679-1682
15. Derlet P.M., and Van Swygenhoven H. Length scale effects in the simulation of deformation properties of nanocrystalline metals. Scr. Materialia 47 (2002) 719-724
16. Dimiduk D.M., Koslowski M., and LeSar R. Preface to the viewpoint set on: statistical mechanics and coarse graining of dislocation behavior for continuum plasticity. Scr. Materialia 54 (2006) 701-704
17. Froseth A.G., Derlet P.M., and Van Swygenhoven H. Dislocations emitted from nanocrystalline grain boundaries: Nucleation and splitting distance. Acta Materialia 52 (2004) 5863-5870
18. Gutkin M.Y., Ovid'Ko I.A., and Skiba N.V. Transformation of grain boundaries due to disclination motion and emission of dislocations pairs. Mater. Sci. Eng. A 339 (2003) 73-80
19. Hall E.O. The deformation and aging of mild steel. Proc. Phys. Soc. London B 64 (1951) 747
20. Haslam A.J., Moldovan D., Phillpot S.R., Wolf. D., and Gleiter H. Combined atomistic and mesoscale simulation of grain growth in nanocrystalline thin films. Comput. Mater. Sci. 23 (2002) 15-32
21. Hirth J.P., and Lothe J. Theory of Dislocations (1982), Wiley, New York
22. Hirth J.P., Pond R.C., and Lothe J. Disconnections in tilt walls. Acta Materialia 54 (2006) 4237-4245
23. Hosford W.F. The Mechanics of Crystals and Textured Polycrystals (1993), Oxford University Press, New York
24. Jiang B., and Weng G.J. A generalized self consistent polycrystal model for the yield strength of nanocrystalline materials. J. Mech. Phys. Solids 52 (2004) 1125-1149
25. Ke M., Hackney S.A., Milligan W.W., and Aifantis E.C. Observations and measurement of grain rotation and plastic strain in nanostructured metal thin films. Nanostructured Mater. 5 (1995) 689-697
26. Kelchner C.L., Plimpton S.J., and Hamilton J.C. Dislocation nucleation and defect structure during surface indentation. Phys. Rev. B 58 (1998) 11085-11088
27. Kim B.-N., Hiraga K., and Morita K. Viscous grain-boundary sliding and grain rotation accommodated by grain-boundary diffusion. Acta Materialia 53 (2005) 1791-1798
28. Kim H.S., and Estrin Y. Phase mixture modeling of the strain rate dependent mechanical behavior of nanostructured materials. Acta Materialia 53 (2005) 765-772
29. Kim H.S., Estrin Y., and Bush M.B. Plastic deformation behaviour of fine grained materials. Acta Materialia 48 (2000) 493-504
30. Kim H.S., Estrin Y., and Bush M.B. Constitutive modelling of strength and plasticity of nanocrystalline metallic materials. Mater. Sci. Eng. A 316 (2001) 195-199
31. Kocks U.F., Argon A.S., and Ashby M.F. Thermodynamics and kinetics of slip. Prog. Mater. Sci. 19 (1975) 1-291
32. Konstantinidis D.A., and Aifantis E.C. On the "anomalous" hardness of nanocrystalline materials. Nanostructured Mater. 10 (1998) 1111-1118
33. Kumar K.S., Suresh S., Chisolm M.F., Horton J.A., and Wang P. Deformation of electrodeposited nanocrystalline nickel. Acta Materialia 51 (2003) 387-405
34. Kurtz R.J., Hoagland R.G., and Hirth J.P. Computer simulation of extrinsic grain-boundary defects in the sigma 11, 〈1 0 1〉 {1 3 1} symmetric tilt boundary. Philos. Mag. A (Phys. Conden. Matter: Structure, Defects Mech. Properties) 79 (1999) 683-703
35. Lebensohn R.A., Bringa E.M., and Caro A. A viscoplastic micromechanical model for the yield strength of nanocrystalline materials. Acta Materialia 55 (2007) 261-271
36. LeSar R., and Rickman J.M. Incorporation of local structure in continuous theory of dislocations. Phys. Rev. B 69 (2004) 172105
37. Li J.C.M. Petch relation and grain boundary sources. Trans. Metall. Soc. AIME 227 (1963) 239
38. Li Y.J., Blum W., and Breutinger F. Does nanocrystalline cu deform by coble creep near room temperature. Mater. Sci. Eng. A 387-389 (2004) 585-589
39. Lu H., Daphalapurkar N.P., Wang B., Roy S., and Komanduri R. Multiscale simulation from atomistic to continuum-Coupling molecular dynamics (MD) with the material point method (MPM). Philos. Mag. 86 (2006) 2971-2994
40. Lu L., Schwainer R., Shan Z.W., Dao M., Lu K., and Suresh S. Nano-sized twins induce high rate sensitivity of flow stress in pure copper. Acta Materialia 53 (2005) 2169-2179
41. Markmann J., Bunzel P., Rosner H., Liu K.W., Padmanabhan K.A., Birringer R., Gleiter H., and Weissmuller J. Microstructure evolution during rolling of inert-gas condensed palladium. Scr. Materialia 49 (2003) 637-644
42. Melchionna S., Ciccotti G., and Holian B.L. Hoover NPT dynamics for systems varying in shape and size. Mol. Phys. 78 (1993) 533-544
43. Mishin Y., Mehl M.J., Papaconstantopoulos D.A., Voter A.F., and Kress J.D. Structural stability and lattice defects in copper: ab initio, tight-binding, and embedded-atom calculations. Phys. Rev. B 63 (2001) 224106-224111
44. Muller P., and Saul A. Elastic effects on surface physics. Surf. Sci. Rep. 54 (2004) 157
45. Nozieres P., and Wolf D.E. Interfacial properties of elastically strained materials. I. Thermodynamics of a planar interface. Z. Phy. B (Conden Matter) 70 (1988) 399
46. Petch N.J. The cleavage strength of polycrystals. J. Iron Steel Inst. 174 (1953) 25-28
47. Randle V. The Measurement of Grain Boundary Geometry (1993), Institute of Physics Publishing, Bristol
48. Rickman J.M., and LeSar R. Issues in the coarse-graining of dislocation energetics and dynamics. Scr. Materialia 54 (2006) 735-739
49. Rittner J.D., and Seidman D.N. 〈1 1 0〉 symmetric tilt grain-boundary structures in FCC metals with low stacking-fault energies. Phys. Rev. B: Conden. Matter. 54 (1996) 6999
50. Sanders P.G., Eastman J.A., and Weertman J.R. Elastic and tensile behavior of nanocrystalline copper and palladium. Acta Materialia 45 (1997) 4019-4025
51. Sanders P.G., Rittner M., Kiedaisch E., Weertman J.R., Kung H., and Lu Y.C. Creep of nanocrystalline Cu, Pd, and Al-Zr. Nanostructured Mater. 9 (1997) 433-440
52. Sansoz F., and Molinari J.F. Mechanical behavior of sigma tilt grain boundaries in nanoscale Cu and Al: a quasicontinuum study. Acta Materialia 53 (2005) 1931-1944
53. Schuh C.A., Nieh T.G., and Yamasaki T. Hall-Petch breakdown manifested in abrasive wear resistance of nanocrystalline nickel. Scr. Materialia 46 (2002) 735-740
54. Spearot D.E., Jacob K.I., and McDowell D.L. Nucleation of dislocations from [0 0 1] bicrystal interfaces in aluminum. Acta Materialia 53 (2005) 3579-3589
55. Spearot D.E., Jacob K.I., and McDowell D.L. Dislocation nucleation from bicrystal interfaces with dissociated structure. Int. J. Plasticity 23 (2007) 143-160
56. Sutton A.P., and Vitek V. On the structure of tilt grain boundaries in cubic metals. I. Symmetrical tilt boundaries. Philos. Trans. R. Soc. London A 309 (1983) 1-36
57. Van Swygenhoven H., and Caro A. Plastic behavior of nanophase Ni: a molecular dynamics computer simulation. Appl. Phys. Lett. 71 (1997) 1652
58. Van Swygenhoven H., Derlet P.M., and Froseth A.G. Stacking fault energies and slip in nanocrystalline metals. Nature Materials 3 (2004) 399-403
59. Wang Y.M., and Ma E. Strain hardening, strain rate sensitivity and ductility of nanostrcutured metals. Mater. Sci. Eng. A 375-377 (2004) 46-52
60. Wang Y.M., Hamza A.V., and Ma E. Activation volume and density of mobile dislocations in plastically deforming nanocrystalline Ni. Appl. Phys. Let. 86 (2005) 241917
61. Warner D.H., Sansoz F., and Molinari J.F. Atomistic based continuum investigation of plastic deformation in nanocrystalline copper. Int. J. Plasticity 22 (2006) 754
62. Wei Y.J., and Anand L. Grain-boundary sliding and separation in polycrystalline metals: application to nanocrystalline FCC metals. J. Mech. Phys. Solids 52 (2004) 2587
63. Wolf D.E., and Nozieres P. Interfacial properties of elastically strained materials. II. Mechanical and melting equilibrium of a curved interface. Z. Phys. B (Conden. Matter) 70 (1988) 507
64. Wolf D., Yamakov Y., Phillpot S.R., and Mukherjee A.K. Deformation mechanism and inverse Hall-Petch behavior in nanocrystalline materials. Z. Metall. 94 (2003) 1052-1061
65. Yamakov V., Wolf D., Salazar M., Phillpot S.R., and Gleiter H. Length-scale effects in the nucleation of extended dislocations in nanocrystalline al by molecular-dynamics simulation. Acta Materialia 49 (2001) 2713-2722
66. Yamakov V., Wolf D., Phillpot S.R., and Gleiter H. Grain boundary diffusion creep in nanocrystalline palladium by molecular dynamics simulation. Acta Materialia 50 (2002) 61-73
67. Yamakov V., Wolf D., Phillpot S.R., Mukherjee A.K., and Gleiter H. Deformation mechanism crossover and mechanical behaviour in nanocrystalline materials. Philos. Mag. Lett. 83 (2003) 385-393
68. Yin W.M., Whang S.H., Mirshams R., and Xiao C.H. Creep Behavior of Nanocrystalline Nickel at 290 and 373 K Vol. A301 (2001), Elsevier, Cincinatti, OH, USA (p. 18)
69. Zhu Y.T., and Langdon T.G. Influence of grain size on deformation mechanisms: An extension to nanocrystalline materials. Mater. Sci. Eng. A 409 (2005) 234-242