Abstract
In this work we discuss how to learn about the real atomic structure of nanocrystalline materials without misinterpreting the results of powder diffraction experiments. We discuss implications of nano-size on powder diffractograms based on some theoretical models of nanograins. Examples of experimental studies on nanocrystalline diamond and SiC are demonstrated.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
C. Suryanarayana (Ed.), Non-equilibrium Processing of Materials, Pergamon, 1999.
H. Gleiter, Nanostructured materials: Basic concepts and microstructure, Acta Mater. 48 (2000) 1–29.
A.P. Alivisatos, Nanocrystals: Building blocks for modern materials design, Endeavour 21 (1997) 56–60.
Z.L. Wang, Characterization of Nanophase Materials, Wiley-VCH, 2000.
J.T. Lue, A review of characterization and physical property studies of metallic nanoparticles, J. Phys. Chem. Solids 62 (2001) 1599–1612.
B. Palosz, S. Stelmakh, E. Grzanka, S. Gierlotka, and W. Palosz, Application of the apparent lattice parameter to determination of the core-shell structure of nanocrystals, Nanocrystallog raphy, Z. Krist. 222 (2007) 580–594.
D.L. Bish and J.E. Post, Modern powder diffraction, Rev. Mineral. Geochem. 20 (1989).
R.A. Young, The Rietveld Method, International Union of Crystallography, Oxford University Press, 1993.
T. Egami and S.J.L. Billinge, Underneath the Bragg Peaks: Structural Analysis of Complex Materials, Pergamon, 2003.
S.J.L. Billinge and M.F. Thorpe, Local Structure from Diffraction, Plenum Press, New York, 1998.
Th. Proffen and S.J.L. Billinge, PDTFIT, a program for full profile structural refinement of the Atomic Pair Distribution function, J. Appl. Cryst. 32 (1999) 572–575.
Th. Proffen, S.J.L. Billinge, T. Egami, and D. Louca, Structural analysis of complex materials using the atomic pair distribution function — A practical guide, Z. Krist. 218 (2003) 132–143.
V. Petkov, S.J.L. Billinge, P. Larson, S.D. Mahanti, T. Vogt, K.K. Rangan, and M.G. Kanatzidis, Structure of nanocrystalline materials using atomic pair distribution function analysis: Study of LiMoS2, Phys. Rev. B65 (2002) 092105.
B. Palosz, E. Grzanka, S. Gierlotka, S. Stelmakh, R. Pielaszek, U. Bismayer, J. Neuefeind, H.-P. Weber, Th. Proffen, R. Von Dreele, and W. Palosz, Analysis of short and long range atomic order in nanocrystalline diamonds with application of powder diffractometry, Z. Krist. 217 (2002) 497–509.
B. Palosz, C. Pantea, E. Grzanka, S. Stelmakh, Th. Proffen, T.W. Zerda, and W. Palosz, Investigation of relaxation of nano-diamond surface in real and reciprocal spaces, Diamond and Related Materials 15 (2006) 1813–1817.
I. Petrov, O. Shenderova, V. Grishko, V. Grichko, T. Tyler, G. Cunningham, and G. McGuire, Detonation nanodiamonds simultaneously purified and modified by gas treatment, Diamond and Related Materials 16 (2007) 2098–2103.
L. Sun and F. Banhart, Graphitic onions as reaction cells on the nanoscale, Appl. Phys. Lett. 88 (2006) 193121.
I.K. Robinson and I.A. Vartanyants, Use of coherent X-ray diffraction to map strain fields in nanocrystals, Appl. Surface Sci. 182 (2001) 186–191.
W.J. Huang, R. Sun, J. Tao, L.D. Menard, R.G. Nuzzo, and J.M. Zuo, Coordination-dependent surface atomic contraction in nanocrystals revealed by coherent diffraction, Nature Mater. 7 (2008) 308–313.
B. Gilbert, H. Zhang, F. Huang, J.F. Banfield, Y. Ren, D. Haskel, J.C. Lang, G. Srajer, A. Jür gensen, and G. Waychunas, Analysis and simulation of structure of nanoparticles that undergo a surface-driven structural transformation, J. Chem. Phys. 120 (2004) 11785–11795.
M. Kohyama, Computational studies of grain boundaries in covalent materials, Modeling Simul. Mater. Sci. Eng. 10 (2002) R31–R59.
H. Svygenhoven, D. Farkas, and A. Caro, Grain-boundary structure in polycrystalline metals at the nanoscale, Phys. Rev. B62 (2000) 831–838.
S.H. Svygenhoven, P.M. Derlet, and A. Hasnaoui, Atomistic modeling of strength of nanocrys talline metals, Adv. Engrg. Mater. 5 (2003) 345–350.
J. Schitz, F.D. DiTolla, and K.W. Jacobsen, Softening of nanocrystalline metals at very small grain sizes, Nature 391 (1998) 561–563.
J. Schitz, T. Vegge, F.D. DiTolla, and K.W. Jacobsen, Atomic-scale simulations of the mechanical deformation of nanocrystalline materials, Phys. Rev. B60 (1999) 11971–11983.
S.R. Phillpot, D. Wolf, and H. Gleiter, Molecular-dynamic study of the synthesis and characterization of a fully dense, three-dimensional nanocrystalline material, J. Appl. Phys. 78 (1995) 847–861.
I. Szlufarska, A. Nakano, and P. Vashishta, A crossover in the mechanical response of nanocrystalline ceramics, Science 309 (2005) 911.
I. Szlufarska, R.K. Kalia, A. Nakano A., et al., Atomistic mechanisms of amorphization during nanoindentation of SiC: A molecular dynamics study, Phys. Rev. B71 (2005) 174113.
B. Palosz, S. Stelmakh, E. Grzanka, S. Gierlotka, S. Nauyoks, T.W. Zerda, and W. Palosz, Origin of macro- and micro-strains in diamond-SiC nanocomposites based on the core-shell model, J. Appl. Phys. 102 (2007) 074303.
M.C. Righi, C.A. Pignedoli, G. Borghi, R.Di Felice, and C.M.Bertoni, Surface-induced stacking transition at SiC(0001), Phys. Rev. B66 (2002) 045320
A.S. Masadeh, E.S. Bozin, C.L. Farrow, G. Paglia, P. Juhas, S.J.L. Billinge, A. Karkamkar, and M.G. Kanatzidis, Quantitative size-dependent structure and strain determination of CdSe nanoparticles using atomic pair distribution function analysis, Phys. Rev. B76 (2007) 115413.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2009 Springer Science+Business Media, B.V.
About this paper
Cite this paper
Palosz, B. et al. (2009). Looking beyond Limitations of Diffraction Methods of Structural Analysis of Nanocrystalline Materials. In: Pyrz, R., Rauhe, J.C. (eds) IUTAM Symposium on Modelling Nanomaterials and Nanosystems. IUTAM Bookseries, vol 13. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-9557-3_9
Download citation
DOI: https://doi.org/10.1007/978-1-4020-9557-3_9
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-9556-6
Online ISBN: 978-1-4020-9557-3
eBook Packages: Chemistry and Materials ScienceChemistry and Material Science (R0)