Non-equilibrium grain boundary structure and inelastic deformation using atomistic simulations

International Journal of Plasticity

Volumn 27, Issue 6, 2011, Pages 841-857

  Tucker, Garritt J ^a   McDowell, David L ^a,b  

^a Georgia Institute of Technology   (United States)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

Atomistic simulations; Dislocations; Grain boundaries

Indexed keywords

ALUMINUM BICRYSTALS; ATOMIC MOBILITY; ATOMISTIC SIMULATIONS; BOUNDARY INFLUENCES; DEFORMATION MECHANISM; DEFORMATION RESPONSE; DISLOCATIONS; EMBEDDED-ATOM METHOD POTENTIALS; FREE-VOLUME EVOLUTION; GRAIN BOUNDARY STRUCTURE; GRAIN SIZE; HIGH ANGLE GRAIN BOUNDARIES; INELASTIC DEFORMATION; MATERIAL PROPERTY; MECHANICAL BEHAVIOR; META-STABLE STATE; NANO SCALE; NON EQUILIBRIUM; NON-EQUILIBRIUM GRAIN BOUNDARIES; NONEQUILIBRIUM BOUNDARIES; NONEQUILIBRIUM STATE; SEVERE PLASTIC DEFORMATIONS;

DEFORMATION; GRAIN BOUNDARIES; MOLECULAR DYNAMICS; MONTE CARLO METHODS; NANOSTRUCTURED MATERIALS; TENSILE STRENGTH;

GRAIN SIZE AND SHAPE;

EID: 79955665349     PISSN: 07496419     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijplas.2010.09.011     Document Type: Article

References (72)

1. S. Agnew, B. Elliott, C. Youngdahl, K. Hemker, and J. Weertman Microstructure and mechanical behavior of nanocrystalline metals Materials Science and Engineering A 285 2000 391 396
2. P. Barai, and G.J. Weng Mechanics of very fine-grained nanocrystalline materials with contributions from grain interior, gb zone, and grain-boundary sliding International Journal of Plasticity 25 2009 2410 2434
3. L. Capolungo, S. Benkassem, M. Cherkaoui, and J. Qu Self-consistent scale transition with imperfect interfaces: application to nanocrystalline materials Acta Materialia 56 2008 1546 1554
4. L. Capolungo, C. Jochum, M. Cherkaoui, and J. Qu Homogenization method for strength and inelastic behavior of nanocrystalline materials International Journal of Plasticity 21 2005 67 81
5. A.H. Chokshi, A. Rosen, J. Karch, and H. Gleiter On the validity of the Hall-Petch relationship in nanocrystalline materials Scripta Metallurgica 23 1989 1679 1684 (Pubitemid 20620529)
6. V. Chuvil'deev Micromechanisms of deformation-stimulated grain boundary self-diffusion. Communication 1. Influence of excess free volume on free energy and diffusion parameters of grain boundaries Fizika Metallov i Metallovedenie 81 1996 6 13
7. V. Chuvil'deev Effect of grain-boundary free volume on the deformation behavior of materials under conditions of superplasticity Physics of Metals and Metallography 86 1998 521 527
8. V. Chuvil'deev, V. Kopylov, and W. Zeiger A theory of non-equilibrium grain boundaries and its applications to nano and micro-crystalline materials processed by ecap Annales de Chimie (Science des Materiaux) 27 2002 55 64
9. O. Ertorer, T. Topping, Y. Li, W. Moss, and E. Lavernia Enhanced tensile strength and high ductility in cryomilled commercially pure titanium Scripta Materialia 60 2009 586 589
10. B. Farrokh, and A.S. Khan Grain size, strain rate, and temperature dependence of flow stress in ultra-fine grained and nanocrystalline Cu and Al: synthesis, experiment, and constitutive modeling International Journal of Plasticity 25 2009 715 732
11. H. Gleiter Nanocrystalline materials Progress in Materials Science 33 1989 223 315
12. W. Hahn, and H. Gleiter On the structure of vacancies in grain boundaries Acta Metallurgica 29 1981 601 606
13. E. Hall The deformation and aging of mild steel Proceedings of the Royal Society of London B 64 1951 747
14. Z. Horita, D.J. Smith, M. Furukawa, M. Nemoto, R.Z. Valiev, and T.G. Langdon Investigation of grain boundaries in submicrometer-grained Al-Mg solid solution alloys using high-resolution electron microscopy Journal of Materials Research 11 1996 1880 1890 (Pubitemid 126567442)
15. Z. Horita, D.J. Smith, M. Nemoto, R.Z. Zaliev, and T.G. Langdon Observations of grain boundary structure in submicrometer-grained Cu and Ni using high-resolution electron Journal of Materials Research 13 1998 446 450 (Pubitemid 128592783)
16. M. Horstemeyer, M. Baskes, V. Prantil, J. Philliber, and S. Vonderheide A multiscale analysis of fixed-end simple shear using molecular dynamics, crystal plasticity, and a macroscopic internal state variable theory Modelling and Simulation in Materials Science and Engineering 11 2003 265 286
17. Horstemeyer, M.F.; Baskes, M.I.; 1999. Atomistic finite deformation simulations: a discussion on length scale effects in relation to mechanical stresses, ASME, Washington, DC, USA. pp. 114-19.
18. M.F. Horstemeyer, M.I. Baskes, and S.J. Plimpton Computational nanoscale plasticity simulations using embedded atom potentials Theoretical and Applied Fracture Mechanics 37 2001 49 98 (Pubitemid 34082334)
19. Islamgaliev, R.; Valiev, R.; 1999. Non-equilibrium grain boundaries in ultrafine-grained materials processed by severe plastic deformation, Switzerland. pp. 361-4.
20. C.L. Kelchner, S.J. Plimpton, and J.C. Hamilton Dislocation nucleation and defect structure during surface indentation Physical Review B 58 1998 11085 11088 (Pubitemid 128481787)
21. A.S. Khan, B. Farrokh, and L. Takacs Compressive properties of Cu with different grain sizes: sub-micron to nanometer realm Journal of Materials Science 43 2008 3305 3313
22. A.S. Khan, Y.S. Suh, C. Xu, L. Takacs, and Z. Haoyue Nanocrystalline aluminum and iron: mechanical behavior at quasi-static and high strain rates, and constitutive modeling International Journal of Plasticity 22 2006 195 209 (Pubitemid 41379413)
23. Y. Khon, Y. Kolobov, M. Ivanov, and A. Butenko Nonequilibrium state of grain boundaries and spontaneous grain-boundary slippage in bicrystals Technical Physics 53 2008 328 333
24. C. Koch Optimization of strength and ductility in nanocrystalline and ultrafine grained metals Scripta Materialia 49 2003 657 662
25. E. Ma Instabilities and ductility of nanocrystalline and ultrafine-grained metals Scripta Materialia 49 2003 663 668
26. E. Ma Eight routes to improve the tensile ductility of bulk nanostructured metals and alloys JOM 58 2006 49 53
27. R. Masumura, P. Hazzledine, and C. Pande Yield stress of fine grained materials Acta Materialia 46 1998 4527 4534 (Pubitemid 128435588)
28. M.A. Meyers, A. Mishra, and D.J. Benson Mechanical properties of nanocrystalline materials Progress in Materials Science 51 2006 427 556 (Pubitemid 43204494)
29. O. Mishin, V. Gertsman, R. Valiev, and G. Gottstein Grain boundary distribution and texture in ultrafine-grained copper produced by severe plastic deformation Scripta Materialia 35 1996 873 878 (Pubitemid 126389706)
30. Y. Mishin, D. Farkas, M.J. Mehl, and D.A. Papaconstantopoulos Interatomic potentials for monoatomic metals from experimental data and ab initio calculations Physical Review B 59 1999 3393 3407
31. Y. Mishin, M.J. Mehl, D.A. Papaconstantopoulos, A.F. Voter, and J.D. Kress Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations Physical Review B 2001 6322
32. R. Musalimov, and R. Valiev Dilatometric analysis of aluminium alloy with submicrometre grained structure Scripta metallurgica et materialia 27 1992 1685 1690
33. A. Nazarov, A. Romanov, and R. Valiev On the structure, stress fields and energy of nonequilibrium grain boundaries Acta metallurgica et materialia 41 1993 1033 1040
34. A. Nazarov, A. Romanov, and R. Valiev Models of the defect structure and analysis of the mechanical behavior of nanocrystals Nanostructured Materials 6 1995 775 778
35. D.L. Olmsted, S.M. Foiles, and E.A. Holm Survey of computed grain boundary properties in face-centered cubic metals: I. Grain boundary energy Acta Materialia 57 2009 3694 3703
36. N. Petch The cleavage strength of polycrystals Journal of the iron and steel industry 174 1953 25 28
37. S. Plimpton Fast parallel algorithms for short-range molecular dynamics Journal of Computational Physics 117 1995 1 19
38. V. Randle The Role of the Coincident Site Lattice in Grain Boundary Engineering 1996 The University Press Cambridge
39. J.D. Rittner, and D.N. Seidman 〈110〉 symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies Physical Review B 54 1996 6999
40. P.G. Sanders, J.A. Eastman, and J.R. Weertman Elastic and tensile behavior of nanocrystalline copper and palladium Acta Materialia 45 1997 4019 4025 (Pubitemid 127376782)
41. F. Sansoz, and J.F. Molinari Incidence of atom shuffling on the shear and decohesion behavior of a symmetric tilt grain boundary in copper Scripta Materialia 50 2004 1283 1288
42. F. Sansoz, and J.F. Molinari Mechanical behavior of Σ tilt grain boundaries in nanoscale Cu and Al: a quasicontinuum study Acta Materialia 53 2005 1931 1944 (Pubitemid 40307710)
43. J. Schiotz, F.D. Di Tolla, and K.W. Jacobsen Softening of nanocrystalline metals at very small grain sizes Nature 391 1998 561 563 (Pubitemid 28157591)
44. J. Schiotz, T. Vegge, F.D. Di Tolla, and K.W. Jacobsen Atomic-scale simulations of the mechanical deformation of nanocrystalline metals Physical Review B 60 1999 11971 11983
45. D. Spearot, M. Tschopp, K. Jacob, and D. McDowell Tensile strength of 〈100〉 and 〈110〉 tilt bicrystal copper interfaces Acta Materialia 55 2007 705 714 (Pubitemid 44909622)
46. A. Suzuki, and Y. Mishin Atomistic modeling of point defects and diffusion in copper grain boundaries Interface Science 11 2003 131 148
47. A. Suzuki, and Y. Mishin Interaction of point defects with grain boundaries in fcc metals Interface Science 11 2003 425 437
48. M. Tschopp, G. Tucker, and D. McDowell Structure and free volume of 〈110〉 symmetric tilt grain boundaries with the E structural unit Acta Materialia 55 2007 3959 3969 (Pubitemid 46755697)
49. M. Tschopp, G. Tucker, and D. McDowell Atomistic simulations of tension-compression asymmetry in dislocation nucleation for copper grain boundaries Computational Materials Science 44 2008 351 362
50. T. Ungar, E. Schafler, P. Hanak, S. Bernstorff, and M. Zehetbauer Vacancy production during plastic deformation in copper determined by in situ x-ray diffraction Materials Science and Engineering A 462 2007 398 401 (Pubitemid 46657205)
51. R.Z. Valiev, and I. Alexandrov A paradox of severe plastic deformation in metals Doklady Physics 6 2001 633 635
52. R. Valiev Nanostructuring of metals by severe plastic deformation for advanced properties Nature Materials 3 2004 511 516
53. R. Valiev The new trends in fabrication of bulk nanostructured materials by SPD processing Journal of Materials Science 42 2007 1483 1490 (Pubitemid 46354490)
54. R. Valiev, I. Alexandrov, Y. Zhu, and T. Lowe Paradox of strength and ductility in metals processed by severe plastic deformation Journal of Materials Research 17 2002 5 8 (Pubitemid 34574572)
55. R. Valiev, A. Korznikov, and R. Mulyukov Structure and properties of ultrafine-grained materials produced by severe plastic deformation Materials Science and Engineering A A168 1993 141 148
56. R. Valiev, E. Kozlov, Y. Ivanov, J. Lian, A. Nazarov, and B. Baudelet Deformation behaviour of ultra-fine-grained copper Acta metallurgica et materialia 42 1994 2467 2475
57. R. Valiev, N. Krasilnikov, and N. Tsenev Plastic deformation of alloys with submicron-grained structure Materials Science and Engineering A A137 1991 35 40 (Pubitemid 21648747)
58. R. Valiev, M. Zehetbauer, Y. Estrin, H. Hoppel, Y. Ivanisenko, H. Hahn, G. Wilde, H. Roven, X. Sauvage, and T. Langdon The innovation potential of bulk nanostructured materials Advanced Engineering Materials 9 2007 527 533 (Pubitemid 47184254)
59. S. Van Petegem, F. Dalla Torre, D. Segers, and H. Van Swygenhoven Free volume in nanostructured Ni Scripta Materialia 48 2003 17 22 (Pubitemid 35289281)
60. H. Van Swygenhoven, P.M. Derlet, and A. Hasnaoui Atomistic modeling of strength of nanocrystalline metals Advanced Engineering Materials 5 2003 345 350
61. H. Van Swygenhoven, A. Hasnaoui, and P.M. Derlet On non-equilibrium grain boundaries and their effect on thermal and mechanical behaviour: a molecular dynamics computer simulation Acta Materialia 50 2002 3927 3939 (Pubitemid 34974813)
62. H. Van Swygenhoven, and J.R. Weertman Deformation in nanocrystalline metals Materials Today 9 2006 24 31 (Pubitemid 44313846)
63. A. Vinogradov, Y. Kaneko, K. Kitagawa, S. Hashimoto, V. Stolyarov, and R. Valiev Cyclic response of ultrafine-grained copper at constant plastic strain amplitude Scripta Materialia 36 1997 1345 1351 (Pubitemid 127414122)
64. A. Voter Parallel replica method for dynamics of infrequent events Physical Review B 57 1998 13985 13988
65. Y.M. Wang, M.W. Chen, F.H. Zhou, and E. Ma High tensile ductility in a nanostructured metal Nature 419 2002 912 915 (Pubitemid 35345095)
66. Y.M. Wang, and E. Ma Strain hardening, strain rate sensitivity, and ductility of nanostructured materials Materials Science and Engineering A 2004 46 52 (Pubitemid 38927043)
67. D.H. Warner, F. Sansoz, and J.F. Molinari Atomistic based continuum investigation of plastic deformation in nanocrystalline copper International Journal of Plasticity 22 2006 754 774 (Pubitemid 41759807)
68. Q. Wei, H. Zhang, B. Schuster, K. Ramesh, R. Valiev, L. Kecskes, R. Dowding, L. Magness, and K. Cho Microstructure and mechanical properties of super-strong nanocrystalline tungsten processed by high-pressure torsion Acta Materialia 54 2006 4079 4089 (Pubitemid 44163845)
69. X. Wu, and Y. Zhu Partial-dislocation-mediated processes in nanocrystalline Ni with nonequilibrium grain boundaries Applied Physics Letters 89 2006 31922-1
70. R. Wurschum, W. Greiner, R. Valiev, M. Rapp, W. Sigle, O. Schneeweiss, and H.E. Schaefer Interfacial free volumes in ultra-fine grained metals prepared by severe plastic deformation by spark erosion, or by crystallization of amorphous alloys Scripta Metallurgica et Materialia 25 1991 2451 2456 (Pubitemid 21728770)
71. Y. Zhao, J. Bingert, Y. Zhu, X. Liao, R. Valiev, Z. Horita, T. Langdon, Y. Zhou, and E. Lavernia Tougher ultrafine grain Cu via high-angle grain boundaries and low dislocation density Applied Physics Letters 92 2008 081903-1
72. M. Zhou A new look at the atomic level virial stress-On continuum-molecular system equivalence Proceedings of the Royal Society of London A 459 2003 2347 2392 (Pubitemid 38328338)