Fundamental limitations, with respect to nanocrystalline materials, of the traditional elaboration of powder diffraction data like the Rietveld method are discussed. A tentative method of the analysis of powder diffraction patterns of nanocrystals based on the examination of the variation of lattice parameters calculated from individual Bragg lines (named the ``apparent lattice parameter'', alp) is introduced. We examine the application of our methodology using theoretical diffraction patterns computed for models of nanocrystals with a perfect crystal lattice and for grains with a two-phase, core-shell structure. We use the method for the analysis of X-ray and neutron experimental diffraction data of nanocrystalline diamond powders of 4, 6 and 12 nm in diameter. The effects of an internal pressure and strain at the grain surface are discussed. The results are based on the dependence of the alp values on the diffraction vector Q and on the PDF analysis. It is shown, that the experimental results lend a strong support to the concept of a two-phase structure of nanocrystalline diamond.
Palosz, B (Reprint Author), Polish Acad Sci, UNIPRESS, High Pressure Res Ctr, Ul Sokolowska 29-37, PL-01142 Warsaw, Poland. Polish Acad Sci, UNIPRESS, High Pressure Res Ctr, PL-01142 Warsaw, Poland. NASA, George C Marshall Space Flight Ctr, Univ Space Res Assoc, Huntsville, AL 35812 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. European Synchrotron Radiat Facil, SNBL, F-38043 Grenoble, France. DESY, HASYLAB, D-22603 Hamburg, Germany. Univ Hamburg, Mineral Petrog Inst, D-20146 Hamburg, Germany.
%0 Journal Article
%1 Palosz2002
%A Palosz, B
%A Grzanka, E
%A Gierlotka, S
%A Stel'makh, S
%A Pielaszek, R
%A Bismayer, U
%A Neuefeind, J
%A Weber, HP
%A Proffen, T
%A Dreele, R Von
%A Palosz, W
%C LEKTORAT M/N, K BERBER-NERLINGER, POSTFACH 80 13 60, D-81613 MUNICH,GERMANY
%D 2002
%I R OLDENBOURG VERLAG
%J Zeitschrift für Kristallographie
%K XRD nanoparticles
%N 10
%P 497-509
%T Analysis of short and long range atomic order in nanocrystalline diamonds with application of powder diffractometry
%V 217
%X Fundamental limitations, with respect to nanocrystalline materials, of the traditional elaboration of powder diffraction data like the Rietveld method are discussed. A tentative method of the analysis of powder diffraction patterns of nanocrystals based on the examination of the variation of lattice parameters calculated from individual Bragg lines (named the ``apparent lattice parameter'', alp) is introduced. We examine the application of our methodology using theoretical diffraction patterns computed for models of nanocrystals with a perfect crystal lattice and for grains with a two-phase, core-shell structure. We use the method for the analysis of X-ray and neutron experimental diffraction data of nanocrystalline diamond powders of 4, 6 and 12 nm in diameter. The effects of an internal pressure and strain at the grain surface are discussed. The results are based on the dependence of the alp values on the diffraction vector Q and on the PDF analysis. It is shown, that the experimental results lend a strong support to the concept of a two-phase structure of nanocrystalline diamond.
@article{Palosz2002,
abstract = {Fundamental limitations, with respect to nanocrystalline materials, of the traditional elaboration of powder diffraction data like the Rietveld method are discussed. A tentative method of the analysis of powder diffraction patterns of nanocrystals based on the examination of the variation of lattice parameters calculated from individual Bragg lines (named the ``apparent lattice parameter{''}, alp) is introduced. We examine the application of our methodology using theoretical diffraction patterns computed for models of nanocrystals with a perfect crystal lattice and for grains with a two-phase, core-shell structure. We use the method for the analysis of X-ray and neutron experimental diffraction data of nanocrystalline diamond powders of 4, 6 and 12 nm in diameter. The effects of an internal pressure and strain at the grain surface are discussed. The results are based on the dependence of the alp values on the diffraction vector Q and on the PDF analysis. It is shown, that the experimental results lend a strong support to the concept of a two-phase structure of nanocrystalline diamond.},
added-at = {2010-08-19T14:26:53.000+0200},
address = {LEKTORAT M/N, K BERBER-NERLINGER, POSTFACH 80 13 60, D-81613 MUNICH,GERMANY},
affiliation = {Palosz, B (Reprint Author), Polish Acad Sci, UNIPRESS, High Pressure Res Ctr, Ul Sokolowska 29-37, PL-01142 Warsaw, Poland. Polish Acad Sci, UNIPRESS, High Pressure Res Ctr, PL-01142 Warsaw, Poland. NASA, George C Marshall Space Flight Ctr, Univ Space Res Assoc, Huntsville, AL 35812 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. European Synchrotron Radiat Facil, SNBL, F-38043 Grenoble, France. DESY, HASYLAB, D-22603 Hamburg, Germany. Univ Hamburg, Mineral Petrog Inst, D-20146 Hamburg, Germany.},
author = {Palosz, B and Grzanka, E and Gierlotka, S and Stel'makh, S and Pielaszek, R and Bismayer, U and Neuefeind, J and Weber, HP and Proffen, T and Dreele, R Von and Palosz, W},
biburl = {https://www.bibsonomy.org/bibtex/27ad86ba21d691c2b3f2519bb7cc10244/pmd},
category = {Crystallography},
cited = {42},
file = {Palosz2002.pdf:Palosz2002.pdf:PDF},
groups = {public},
interhash = {689af1570c5cfbc74e7445652dbf30a7},
intrahash = {7ad86ba21d691c2b3f2519bb7cc10244},
iso = {Z. Kristall.},
issn = {0044-2968},
journal = {Zeitschrift für Kristallographie},
keywords = {XRD nanoparticles},
language = {English},
misc_id = {ISI:000179728100001},
number = 10,
pages = {497-509},
plus = {X-RAY-DIFFRACTION; SMALL PARTICLES; CDSE NANOCRYSTALS; SIZE DEPENDENCE; SURFACE STRESS; GOLD PARTICLES; HIGH-PRESSURE; NANOPARTICLES; PALLADIUM; COPPER},
publisher = {R OLDENBOURG VERLAG},
references = {52},
timestamp = {2011-09-27T11:23:29.000+0200},
title = {Analysis of short and long range atomic order in nanocrystalline diamonds with application of powder diffractometry},
type = {Article},
username = {pmd},
volume = 217,
year = 2002
}