Plastic Deformation by Grain Boundary Motion: Experiments and Simulations

Microstructural Design of Advanced Engineering Materials

Volumn , Issue , 2013, Pages 201-233

  Molodov, Dmitri A ^a   Mishin, Yuri ^b  

^a RWTH AACHEN UNIVERSITY   (Germany)

^b GEORGE MASON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONDENSED MATTER PHYSICS; MATERIALS SCIENCE;

GRAIN BOUNDARY MOTIONS;

GRAIN BOUNDARIES;

EID: 85017346364     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527652815.ch09     Document Type: Chapter

References (98)

1. Gleiter, H. (2000) Nanostructured materials: Basic concepts and microstructure. Acta Materialia, 48, 1-29.
2. Valiev, R.Z., Islamgaliev, R.K., and Alexandrov, I.V. (2000) Bulk nanostructured materials from severe plastic deformation. Progress in Materials Science, 45, 103-189.
3. Kumar, K.S., Van Swygenhoven, H., and Suresh, S. (2003) Mechanical behavior of nanocrystalline metals and alloys. Acta Materialia, 51, 5743-5774.
4. Meyers, M.A., Mishra, A., and Benson, D.J. (2006) Mechanical properties of nanocrystalline materials. Progress in Materials Science, 51, 427-556.
5. Dao, M., Lu, L., Asaro, R.J., De Hosson, J.T. M., and Ma, E. (2007) Toward a quantitative understanding of mechanical behavior of nanocrystalline metals. Acta Materialia, 55, 4041-4065.
6. Hall, E.O. (1951) The deformation and ageing of mild steel.3. Discussion of results. Proceedings of the Physical Society of London B, 64, 747-753.
7. Petch, N.J. (1953) The cleavage strength of polycrystals. Journal of the Iron and Steel Institute, 174, 25-28.
8. Eshelby, J.D., Frank, F.C., and Nabarro, F. R.N. (1951) The equilibrium of linear arrays of dislocations. Philosophical Magazine, 42, 351-364.
9. Hirth, J.P. (2006) Dislocation pileups in the presence of stress gradients. Philosophical Magazine, 86, 3959-3963.
10. Yip, S. (1998) Nanocrystals - the strongest size. Nature, 391, 532-533.
11. Schiotz, J. and Jacobsen, K.W. (2003) A maximum in the strength of nanocrystalline copper. Science, 301, 1357-1359.
12. Argon, A.S. and Yip, S. (2006) The strongest size. Philosophical Magazine Letters, 86, 713-720.
13. Cahn, J.W. and Taylor, J.E. (2004) A unified approach to motion of grain boundaries, relative tangential translation along grain boundaries, and grain rotation. Acta Materialia, 52, 4887-4998.
14. Cahn, J.W., Mishin, Y., and Suzuki, A. (2006) Coupling grain boundary motion to shear deformation. Acta Materialia, 54, 4953-4975.
15. Mishin, Y., Asta, M., and Li, J. (2010) Atomistic modeling of interfaces and their impact on microstructure and properties. Acta Materialia, 58, 1117-1151.
16. Srinivasan, S.G. and Cahn, J.W. (2002) Challenging some free-energy reduction criteria for grain growth, in Science and Technology of Interfaces (eds S. Ankem, C.S. Pande, I. Ovidko, and R. Ranganathan), TMS, Seattle, pp. 3-14.
17. Trautt, Z.T. and Mishin, Y. (2012) Grain boundary migration and grain rotation studied by molecular dynamics. Acta Materialia, 60, 2407-2424.
18. Wu, K.A. and Voorhees, P.W. (2012) Phase field crystal simulations of nanocrystalline grain growth in two dimensions. Acta Materialia, 60, 407-419.
19. Ivanov, V.A. and Mishin, Y. (2008) Dynamics of grain boundary motion coupled to shear deformation: An analytical model and its verification by molecular dynamics. Physical Review B -Condensed Matter, 78, 064. 106.
20. Karma, A., Trautt, Z.T., and Mishin, Y. (2012) Relationship between equilibrium fluctuations and shear-coupled motion of grain boundaries. Physical Review Letters, 109, 095-501.
21. Molteni, C., Francis, G.P., Payne, M.C., and Heine, V. (1996) First-principles simulation of grain boundary sliding. Physical Review Letters, 76, 1284-1287.
22. Molteni, C., Morzani, N., Payne, M.C., and Heine, V. (1997) Sliding mechanisms in aluminum grain boundaries. Physical Review Letters, 79, 869-872.
23. Hamilton, J.C. and Foiles, S.M. (2002) First-principles calculations of grain boundary theoretical strength using transition state finding to determine generalized gamma surface cross sections. Physical Review B - Condensed Matter, 65, 64-104.
24. Sansoz, F. and Molinari, J.F. (2005) Mechanical bahavior of S tilt grain boundaries in nanoscale Cu and Al: A quasicontinuum study. Acta Materialia, 53, 1931-1944.
25. Chen, L.Q. and Kalonji, G. (1992) Finite temperature structure and properties of Σ = 5 (310) tilt grain boundaries in NaCl. Philosophical Magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties, 66, 11-26.
26. Shiga, M. and Shinoda, W. (2004) Stress-induced grain boundary sliding and migration at finite temperatures: A molecular dynamics study. Physical Review B - Condensed Matter, 70, 054102.
27. Chandra, N. and Dang, P. (1999) Atomistic simulation of grain boundary sliding and migration. Journal of Materials Science, 34, 655-666.
28. Haslam, A.J., Moldovan, D., Yamakov, V., Wolf, D., Phillpot, S.R., and Gleiter, H. (2003) Stress-induced grain growth in a nanocrystalline material by molecular-dynamics simulation. Acta Materialia, 51, 2097-2112.
29. Suzuki, A. and Mishin, Y. (2005) Atomic mechanisms of grain boundary motion. Materials Science Forum, 502, 157-162.
30. Cahn, J.W., Mishin, Y., and Suzuki, A. (2006) Duality of dislocation content of grain boundaries. Philosophical Magazine, 86, 3965-3980.
31. Mishin, Y., Suzuki, A., Uberuaga, B., and Voter, A.F. (2007) Stick-slip behavior of grain boundaries studied by accelerated molecular dynamics. Physical Review B -Condensed Matter, 75, 224101.
32. Trautt, Z.T., Adland, A., Karma, A., and Mishin, Y. (2012) Coupled motion of asymmetrical tilt grain boundaries: Molecular dynamics and phase field crystal simulations. Acta Materialia, 60, 6528-6546.
33. Fensin, S.J., Asta, M., and Hoagland, R.G. (2012) Temperature dependence of the structure and shear response of a S11 asymmetric tilt grain boundary in copper from molecular-dynamics. Philosophical Magazine, 92, 4320-4333.
34. Li, C.H., Edwards, E.H., Washburn, J., and Parker, J. (1953) Stress-induced movement of crystal boundaries. Acta Metallurgica, 1, 223.
35. Bainbridge, D.W., Li, C.H., and Edwards, E.H. (1954) Recent observations on the motion of small angle dislocation boundaries. Acta Metallurgica, 2, 322-333.
36. Biscondi, M. and Goux, C. (1968) Fluage intergranulaire de bicristaux orientes d'aluminium. Mémoires Scientifiques Revue de Metallurgie, 65, 167-179.
37. Fukutomi, H., Iseki, T., Endo, T., and Kamijo, T. (1991) Sliding behavior of coincident grain boundaries deviating from ideal symmetric tilt relationship. Acta Materialia, 39, 1445-1448.
38. Winning, M., Gottstein, G., and Shvindlerman, L.S. (2001) Stress induced grain boundary motion. Acta Materialia, 49, 211-219.
39. Winning, M., Gottstein, G., and Shvindlerman, L.S. (2002) On the mechanisms ofgrain boundary migration. Acta Materialia, 50, 353-363.
40. Winning, M. and Rollett, A.D. (2005) Transition between low and high angle grain boundaries. Acta Materialia, 53, 2901-2907.
41. Sheikh-Ali, A.D., Szpunar, J.A., and Garmestani, H. (2003) Stimulation and suppression of grain boundary sliding by intergranular slip in zinc bicrystals. Interafce Science, 11, 439-450.
42. Yoshida, H., Yokoyama, K., Shibata, N., Ikuhara, Y., and Sakuma, T. (2004) High-temperature grain boundary sliding behavior and brain boundary energy in cubic zirconia bicrystals. Acta Materialia, 52, 2349-2357.
43. Molodov, D., Ivanov, A., and Gottstein, G. (2007) Low angle tilt boundary migration coupled to shear deformation. Acta Materialia, 55, 1843-1848.
44. Molodov, D., Gorkaya, T., and Gottstein, G. (2007) Mechanically driven migration of (100) tilt grain boundaries in Al-bicrystals. Materials Science Forum, 558-559, 927-932.
45. Legros, M., Gianola, D.S., and Hemker, K. J. (2008) In situ tem observations offast grain-boundary motion in stressed nanocrystalline aluminum films. Acta Materialia, 56, 3380-3393.
46. Mompiou, F., Caillard, D., and Legros, M. (2009) Grain boundary shear-migration coupling. I. In situ tem straining experiments in Al polycrystals. Acta Materialia, 57, 2198-2209.
47. Molodov, D.A. and Shvindlerman, L.S. (2009) Interface migration in metals (IMM): "Vingtans apres" (twenty years later). International Journal of Materials Research, 100, 461-482.
48. Gorkaya, T., Molodov, D.A., and Gottstein, G. (2009) Stress-driven migration of symmetrical (100) tilt grain boundaries in Al bicrystals. Acta Materialia, 57, 5396-5405.
49. Gorkaya, T., Burlet, T., Molodov, D.A., and Gottstein, G. (2010) Experimental method for true in situ measurements of shear-coupled grain boundary migration. Scripta Materialia, 63, 633-636.
50. Gorkaya, T., Molodov, K.D., Molodov, D.A., and Gottstein, G. (2011) Concurrent grain boundary motion and grain rotation under an applied stress. Acta Materialia, 59, 5674-5680.
51. Molodov, D.A., Gorkaya, T., and Gottstein, G. (2011) Migration of the S7 tilt grain boundary in Al under an applied external stress. Scripta Materialia, 65, 990-993.
52. Molodov, D.A., Gorkaya, T., and Gottstein, G. (2011) Dynamics of grain boundaries under applied mechanical stress. Journal of Materials Science, 46, 4318-4326.
53. Monk, J., Hyde, B., and Farkas, D. (2006) The role of partial grain boundary dislocations in grain boundary sliding and coupled grain boundary motion. Journal of Materials Science, 41, 7741-7746.
54. Zhu, T., Li, J., Samanta, A., Kim, H.G., and Suresh, S. (2007) Interfacial plasticity governs strain rate sensitivity and ductility in nanostructured materials. Proceedings of the National Academy ofSciences of the United States of America, 104, 3031-3036.
55. Hemker, K.J. and Sharpe, W.N. (2007) Microscale characterization of mechanical properties. Annual Review of Materials Research, 37, 93-126.
56. Gianola, D.S., Eberl, C., Cheng, X.M., and Hemker, K.J. (2008) Stress-driven surface topography evolution in nanocrystalline Al thin films. Advanced Materials, 20, 303-308.
57. Cahn, J.W. and Mishin, Y. (2009) Recrystallization initiated by low-temperature grain boundary motion coupled to stress. International Journal of Materials Research, 100, 510-515.
58. Daw, M.S. and Baskes, M.I. (1984) Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals. Physical Review B -Condensed Matter, 29, 6443-6453.
59. Mishin, Y., Farkas, D., Mehl, M.J., and Papaconstantopoulos, D.A. (1999) Interatomic potentials for monoatomic metals from experimental data and ab initio calculations. Physical Review B -Condensed Matter, 59, 3393-3407.
60. Mishin, Y., Mehl, M.J., Papaconstantopoulos, D.A., Voter, A.F., and Kress, J.D. (2001) Structural stability and lattice defects in copper: Ab initio, tight-binding and embedded-atom calculations. Physical Review B - Condensed Matter, 63, 224106.
61. Suzuki, A. and Mishin, Y. (2003) Atomistic modeling of point defects and diffusion in copper grain boundaries. Interface Science, 11, 131-148.
62. Frenkel, D. and Smit, B. (2002) Understanding Molecular Simulation: From Algorithms to Applications, Academic, San Diego.
63. Voter, A.F. (1997) A method for accelerating the molecular dynamics simulation of infrequent events. Journal of Chemical Physics, 106, 4665-4677.
64. Voter, A.F. (1998) Parallel replica method for dynamics of infrequent events. Physical Review B - Condensed Matter, 57, R13985-R13988.
65. Sørensen, M.R. and Voter, A.F. (2000) Temperature-accelerated dynamics for simulation of infrequent events. Journal of Chemical Physics, 112, 9599-95606.
66. Voter, A.F., Montalenti, F., and Germann, T.C. (2002) Extending the time scale in atomistic simulation of materials. Annual Review of Materials Research, 32, 321-346.
67. Uberuaga, B.P., Stuart, S.J., and Voter, A.F. (2007) Parallel replica dynamics for driven systems: Derivation and application to strained nanotubes. Physical Review B -Condensed Matter, 75, 014301.
68. Tucker, G.J., Zimmerman, J.A., and McDowell, D.L. (2010) Shear deformation kinematics of bicrystalline grain boundaries in atomistic simulations. Modelling and Simulations in Materials Science and Engineering, 18, 15-102.
69. Berry, J., Grant, M., and Elder, K.R. (2006) Diffusive atomistic dynamics of edge dislocations in two dimensions. Physical Review E, 73, 31-609.
70. Berry, J., Elder, K.R., and Grant, M. (2008) Melting at dislocations and grain boundaries: A phase field crystal study. Physical Review B - Condensed Matter, 77, 224-114.
71. Mellenthin, J., Karma, A., and Plapp, M. (2008) Phase-field crystal study of grain-boundary premelting. Physical Review B -Condensed Matter, 78, 184-110.
72. Stefanovic, P., Haataja, M., and Provatas, N. (2009) Phase field crystal study of deformation and plasticity in nanocrystalline materials. Physical Review E, 80, 46-107.
73. Jaatinen, A., Achim, C.V., Elder, K.R., and Ala-Nissila., T. (2010) Phase field crystal study of symmetric tilt grain boundaries of iron. Technische Mechanik, 30, 169-176.
74. Spatschek, R. and Karma, A. (2010) Amplitude equations for polycrystalline materials with interaction between composition and stress. Physical Review B -Condensed Matter, 81, 214-301.
75. Olmsted, D.L., Buta, D., Adland, A., Foiles, S.M., Asta, M., and Karma, A. (2011) Dislocation-pairing transitions in hot grain boundaries. Physical Review Letters, 106, 046101.
76. Adland, A., Spatschek, R., Buta, D., Asta, M., and Karma, A. (2013) Phase-field-crystal study of grain-boundary premelting and shearing for bcc iron. Phys. Rev. B 87, 024110.
77. Sutton, A.P. and Balluffi, R.W. (1995) Interfaces in Crystalline Materials, Clarendon Press, Oxford.
78. Mate, C.M., McClelland, G.M., Erlandsson, R., and Chiang, S. (1987) Atomic-scale friction ofa tungsten tip on a graphite surface. Physical Review Letters, 59 (17), 1942-1945. doi: 10.1103/PhysRevLett.59.1942
79. Gnecco, E., Bennewitz, R., Gyalog, T., Loppacher, C., Bammerlin, M., Meyer, E., and Guntherodt, H.J. (2000) Velocity dependence of atomic friction. Physical Review Letters, 84 (6), 1172-1175. doi: 10.1103/PhysRevLett.84.1172
80. Gnecco, E., Bennewitz, R., Gyalog, T., and Meyer, E. (2001) Friction experiments on the nanometre scale. Journal of Physics: Condensed Matter, 13, R619-R642.
81. Socoliuc, A., Gnecco, E., Maier, S., Pfeiffer, O., Baratoff, A., Bennewitz, R., and Meyer, E. (2006) Atomic-scale control of friction by actuation of nanometer-sized contacts. Science, 313, 207.
82. Read, W.T. and Shockley, W. (1950) Dislocation models of crystal grain boundaries. Physical Review, 78, 275-289.
83. Taylor, J.E. and Cahn, J.W. (2007) Shape accommodation of a rotating embedded crystal via a new variational formulation. Interfaces and Free Boundaries, 9, 493-512.
84. Zhang, H., Du, D., and Srolovitz, D.J. (2008) Effect of boundary inclination and boundary type on shear-driven grain boundary migration. Philosophical Magazine, 88, 243-256.
85. Zhang, H. (2009) Atomistic simulation of sliding of [1010] tilt grain boundaries in Mg. Journal of Materials Research, 24, 3446-3453.
86. Syed, B., Catoor, D., Mishra, R., and Kumar, K. (2012) Coupled motion of [10 - 10] tilt boundaries in magnesium bicrystals. Philosophical Magazine, 92 (12), 1499-1522.
87. Zhang, K., Weertman, J.R., and Eastman, J. A. (2005) Rapid stress-driven grain coarsening in nanocrystalline Cu at ambient and cryogenic temperatures. Applied Physics Letters, 87, 61-921.
88. Rath, B.B., Winning, M., and Li, J.C.M. (2007) Coupling between grain growth and grain rotation. Applied Physics Letters, 90, 161-915.
89. Liu, P., Mao, S.C., Wang, L.H., Han, X.D., and Zhang, Z. (2011) Direct dynamic atomic mechanisms of strain-induced grain rotation in nanocrystalline, textured, columnar-structured thin gold films. Scripta Materialia, 64, 343-346.
90. Kim, B.N., Hiraga, K., and Morita, K. (2005) Viscous grain-boundary sliding and grain rotation accommodated by grain-boundary diffusion. Acta Materialia, 53, 1791-1798.
91. Margulies, L., Winther, G., and Poulsen, H.F. (2001) In situ measurement of grain rotation during deformation of polycrystals. Science, 291, 2392-2394.
92. Harris, K.E., Singh, V.V., and King, A.H. (1998) Grain rotation in thin films of gold. Acta Materialia, 46, 2623-2633.
93. Doherty, R.D. and Szpunar, J.A. (1984) Kinetics of sub grain coalescence - a reconsideration of the theory. Acta Materialia, 32, 1789-1798.
94. Li, J.C.M. (1969) Irreversible thermodynamics of a curved grain boundary. Transactions of AIME, 245, 1587-1590.
95. Li, J.C.M. (1969) A dislocation mechanism for the shrinking of a cylindrical tilt boundary. Transactions of AIME, 245, 1591-1593.
96. Li, J.C.M. (1962) Possibility of subgrain rotation during recrystallization. Journal of Applied Physics, 33, 2958-2965.
97. Elsener, A., Politano, O., Derlet, P.M., and Van Swygenhoven, H. (2009) Variablecharge method applied to study coupled grain boundary migration in the presence of oxygen. Acta Materialia, 57, 1988-2001.
98. Tang, T., Gianola, D.S., Moody, M.P., Hemker, K.J., and Cairney, J.M. (2012) Observations of grain boundary impurities in nanocrystalline Al and their influence on microstructural stability and mechanical behaviour. Acta Materialia, 60, 1038-1047.