Abstract
Atomistic simulations have provided unprecedented insight into the structural and mechanical properties of nanocrystalline materials, highlighting the role of the non-equilibrium grain boundary structure in both inter- and intra-grains deformation processes. One of the most important results is the capability of the nanosized grain boundary to act as a source and sink for dislocations. However the extrapolation of this knowledge to the experimental regime requires a clear understanding of the temporal and spatial scales of the modelling technique and a detailed structural characterisation of the simulated samples. In this contribution some of the synergies that can be developed between atomistic simulations and experiments for this research field are briefly discussed by means of some typical examples.
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References
J. R. Weertman, Mechanical behaviour of nanocrystalline metals. In: Nanostructured materials: processing, properties, and potential applications. Norwich (NY): William Andrew Publishing; 2002, Chapter 10 (2002).
K. S. Kumar, H. Van Swygenhoven and S. Suresh., Acta Mater. 51, 5743 (2003).
F. Dalla Torre, H. Van Swygenhoven and M. Victoria, Acta Mater. 50, 3957 (2002).
F. Dalla Torre, Ph.D. Thesis entitled “Microstructure and Mechanical Properties of Nanocrystalline Ni produced by Three Different Synthesis Techniques”, EPFL, Switzerland, 2003.
Y. M. Wang and E. Ma, Acta Mater. 52, 1699 (2004).
H. Van Swygenhoven, P. M. Derlet, Z. Budrovic and A. Hasnaoui, Z. Metallkd. 10, 1106 (2003).
P. M. Derlet, A. Hasnaoui and H. Van Swygenhoven, Scripta Mater. 49, 629 (2003).
V. Yamakov, D. Wolf, S. R. Phillpot and H. Gleiter, Acta. Mater. 40, 61 (2002).
H. Van Swygenhoven, D. Farkas and A. Caro, Phys. Rev. B 62, 831 (2000).
P. M. Derlet and H. Van Swygenhoven, Phys. Rev. B 67, 014202 (2003).
V. Yamakov, D. Wolf, S. R. Phillpot, A. K. Mukherjee and H. Gleiter, Phil. Mag. Lett. 83, 385 (2003).
J. Schiøtz and K. W. Jacobsen, Science 301, 1357 (2003).
D. J. Honeycutt and H. C. Andersen, J. Phys. Chem. 91, 4950 (1987).
B. E. Warren, X-ray Diffraction, (Addison-Wesley, Massachusetts, 1969), Chapter 1.
P. M. Derlet, Z. Budrovic and H. Van Swygenhoven, in preparation.
Z. Budrovic, H. Van Swygenhoven, P. M. Derlet, S. Van Petegem and B. Schmidt, Science 304, 273 (2004).
P. M. Derlet, R. Meyer, L. J. Lewis, U. Stuhr, and H. Van Swygenhoven, Phys. Rev. Lett. 87, 205501 (2001).
P. M. Derlet and H. Van Swygenhoven, Phys. Rev. Lett. 92, 035505 (2004).
P. M. Derlet, S. Van Petegem and H. Van Swygenhoven, in preparation.
S. Van Petegem, F. Dalla Torre, D. Segers and H. Van Swygenhoven, Scripta Mater. 48, 17 (2003).
Van Petegem S, Positron annihilation study of nanocrystallinematerials, Doctoral Thesis, University of Ghent, 2003.
H. Van Swygenhoven and P. M. Derlet, Phys. Rev. B 64, 224105 (2001).
A. Hasnaoui, H. Van Swygenhoven and P. M. Derlet, Phys. Rev. B 66, 184112 (2002).
A. Hasnaoui, H. Van Swygenhoven and P. M. Derlet, Science 300, 1550 (2003).
M. J. Caturla, H. Van Swygenhoven and P. M. Derlet, unpublished
H. Van Swygenhoven, P. M. Derlet and A. Hasnaoui, Phys. Rev. B 66, 024101 (2002).
P. M. Derlet, H. Van Swygenhoven and A. Hasnaoui, Phil. Mag. 83, 3569 (2003).
A. G. Frøseth, H. Van Swygenhoven and P. M. Derlet, Acta Mater. 52, 2259 (2004).
V. Yamakov, D. Wolf, S. R. Phillpot, A. K. Mukherjee and H. Gleiter, Nature Mater. 3, 43 (2004).
H. Van Swygenhoven, P. M. Derlet and A. Frøseth, Nature Mater. in press, (2004).
A. G. Frøseth, P. M. Derlet and H. Van Swygenhoven, submitted (2004).
R. C. Hugo, H. Kung, J. R. Weertman, R. Mitra, J. A. Knapp and D. M. Follstaedt, Acta Mater., 51, 1937 (2003).
K. S. Kumar, S. Suresh, M. F. Chisholm, J. A. Horton, P. Wang, Acta Mater. 51, 387 (2003).
P. M. Derlet and H. Van Swygenhoven, Phil. Mag. A. 82, 1 (2002).
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Van Swygenhoven, H., Derlet, P.M., Frøseth, A.G. et al. Nanocrystalline fcc metals: bridging experiments with simulations. MRS Online Proceedings Library 821, 152–161 (2004). https://doi.org/10.1557/PROC-821-P4.2/N4.2
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DOI: https://doi.org/10.1557/PROC-821-P4.2/N4.2