European Powder Diffraction Conference; August 2010, Darmstadt, Germany

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European Powder Diffraction Conference; August 2010, Darmstadt, Germany

Language: English

Published/Copyright: 2011

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Volume 1 | Zeitschrift für Kristallographie / Proceedings

Topics

Materials Sciences Crystallography

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Frontmatter
I

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PREFACE
VII

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Editorial Notes
IX
H. Fuess, P. Scardi and U. Welzel

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European Powder Diffraction Conference Award for Young Scientists
XI

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European Powder Diffraction Conference Award for Distinguished Powder Diffractionists
XIII

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Table of Contents
XV

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I. METHOD DEVELOPMENT AND APPLICATION
I.1 Determination of Crystal Structure
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Complementarities between precession electron and X-ray powder diffraction
1
U. Kolb and E. Mugnaioli

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Differential Pair Distribution Function applied to Ce_1-xGd_xO_2-x/2 system
15
M. Allieta, M. Brunelli, M. Coduri, M. Scavini and C. Ferrero

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I.2 Qualitative and Quantitative Phase Analysis
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A suitable method for quantitative phase analysis of samples with high amorphous content
23
S. Dittrich, J. Neubauer and F. Goetz-Neunhoeffer

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UMo/Al nuclear fuel quantitative analysis via high energy X-ray diffraction
29
A. Bonnin, H. Palancher, V. Honkimäki, R. Tucoulou, Y. Calzavara, C. V. Colin, J-F. Bérar, N. Boudet, H. Rouquette, J. Raynal, C. Valot and J. Rodriguez-Carvajal

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I.3 Microstructure and Line Broadening Analysis
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Microstrain in nanocrystalline samples from atomistic simulation
37
A. Leonardi, K. R. Beyerlein, T. Xu, M. Li, M. Leoni and P. Scardi

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Simulating the temperature effect in a powder diffraction pattern with molecular dynamics
43
K. R. Beyerlein, M. Leoni, R. L. Snyder, M. Li and P. Scardi

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A new combined approach to investigate stacking faults in lamellar compounds
49
Romain Gautier, E. Furet, Régis Gautier, N. Audebrand and E. Le Fur

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Factors affecting diffraction broadening analysis
55
S. Popović, Ž. Skoko and G. Štefanić

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Crystallite size evolution in hydrothermal formation of kaolinite
63
P. Pardo, F. Javier Huertas, M. A. Kojdecki and J. Bastida

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Particle statistics in synchrotron powder diffractometry
69
T. Ida, T. Goto and H. Hibino

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High energy milling of Cu₂O powders
75
D. Dodoo-Arhin, G. Vettori, M. D’Incau, M. Leoni and P. Scardi

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Defects in nanocrystalline ceria xerogel
81
M. Müller, M. Leoni, R. Di Maggio and P. Scardi

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Determination of crystallite size distribution histogram in nanocrystalline anatase powders by XRD
87
Z. Matěj, L. Matějová, F. Novotný, J. Drahokoupil and R. Kužel

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Crystal growth mechanism of kaolinites deduced from crystallite size distribution
93
J. V. Clausell, J. Bastida, M. A. Kojdecki and P. Pardo

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Diffraction peak broadening of energetic materials
99
M. Herrmann, P. B. Kempa, U. Förter-Barth and S. Doyle

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Calculation of a line profile for the diffractometer with a primary monochromator
105
A. Zuev, R. Dinnebier and W. Depmeier

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I.4 Texture
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Characterization of weakly deformed limestone from Chotec, Bohemia by neutron transmission
113
L. Kalvoda, S. Vratislav, J. Hladil and M. Machek

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Multiple scattering from textured polycrystals
119
J. Palacios-Gómez, T. Kryshtab and C. Vega-Rasgado

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II. INSTRUMENTAL
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Powgen: A third-generation highresolution high-throughput powder diffraction instrument at the Spallation Neutron Source
127
A. Huq, J. P. Hodges, O. Gourdon and L. Heroux

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Technical concept of the materials science beamline at ALBA
137
M. Knapp, I. Peral, L. Nikitina, M. Quispe and S. Ferrer

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Instrumental calibration of laboratory X-ray powder diffractometers
143
X. Alcobe, J. M. Bassas and M. A. Cuevas-Diarte

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New anti-air-scatter screen for powder XRD with linear position sensitive detectors
149
N. S. P. Bhuvanesh, J. H. Reibenspies, W. Seward and T. Pehl

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In-situ XRPD of hydrating cement with lab instrument: reflection vs. transmission measurements
155
M. C. Dalconi, M. Favero and G. Artioli

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In-house characterization of protein powder
163
C. G. Hartmann, P. Harris and K. Ståhl

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Multiple reflections accompanying allowed and forbidden single reflections in bent Si-crystals
169
P. Mikula, M. Vrána, J. Šaroun, B. S. Seong and V. Em

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2θ-scanning 2D-area detector for high quality powder data collection using synchrotron radiation
175
S. Sulyanov, H. Boysen, C. Paulmann, E. Sulyanova and A. Rusakov

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III. SOFTWARE
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Adaption of a Rietveld code towards clay structure description
183
J. Bergmann, K. Ufer and R. Kleeberg

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Real-space powder diffraction computing on clusters of Graphics Processing Units
189
L. Gelisio, C. L. Azanza Ricardo, M. Leoni and P. Scardi

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Evaluation of algorithms and weighting methods for MEM analysis from powder diffraction data
195
K. Momma and F. Izumi

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YAYLA, a program for handling area detector data of glasses
201
M. Ende and G. Kloess

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IV. MATERIALS
IV.1 Thin Layers
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HTXRD study of atomic layer deposited noble metal thin films heat treated in oxygen
209
M. J. Heikkilä, J. Hämäläinen, M. Ritala and M. Leskelä

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XRD real structure characterization of sputtered Au films different in thickness
215
J. Říha, P. Šutta, J. Siegel, Z. Kolská and V. Švorčík

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Liquid-phase self-terminated growth of MOF thin films: An X-ray diffraction study
221
K. Yusenko, D. Zacher and R. A. Fischer

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IV.2 Nanocrystalline and Amorphous Materials
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X-ray study of structure of the TiO₂ nanotubes and nanowires
229
T. Brunátová, S. Daniš, R. Kužel, D. Králová and M. Šlouf

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Core-Shell structure of nanocrystalline AlN in real and reciprocal spaces
235
E. Grzanka, S. Stelmakh, B. Palosz, S. Gierlotka, Th. Proffen, M. Drygas and J. F. Janik

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Compression and thermal expansion of nanocrystalline TiN
241
S. Stelmakh, E. Grzanka, S. Gierlotka, J. F. Janik, M. Drygaś, C. Lathe and B. Palosz

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Diffraction analysis of grain growth in nanocrystalline Ni-W powders prepared by mechanical milling
247
G. K. Rane, D. Apel, U. Welzel and E. J. Mittemeijer

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Orientational degeneracy of antiferromagnetic exchange striction in anisotropic ultrafine NiO nanocrystals
253
M. Petrik and B. Harbrecht

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IV.3 Metals and Alloys
IV.3.1 General
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X-ray diffraction analysis of phases in weldments of super duplex stainless steels
261
J. Garin, R. Mannheim and M. Camus

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X-ray studies of martensitic transformation in Fe-Ni alloys rapidly quenched from the melt
267
V. E. Danilchenko and R. M. Delidon

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γ-α-γ-martensitic transitions influence on the martensite decomposition of quenched steel
273
V. E. Danilchenko and V. Iakovlev

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IV.3.2 Microstructure, Stress and Texture
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Strain relaxation and grain growth in 316LVM stainless steel annealed under pressure
281
S. Gierlotka, E. Grzanka, A. Krawczynska, S. Stelmakh, B. Palosz, M. Lewandowska, C. Lathe and K. J. Kurzydlowski

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Influence of elastic stress on stainless steel corrosion
287
M. A. Abdalslam, J. Brötz, W. Ensinger and H. Fuess

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X-ray diffraction investigations on gas nitrided nickel and cobalt
293
A. Leineweber, F. Lienert, S. Glock, T. Woehrle, P. Schaaf, M. Wilke and E. J. Mittemeijer

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Study of the ordering kinetics in Au4V alloy
299
S. Starenchenko

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IV.4 Minerals and Inorganics
IV.4.1 Structural Changes, In-situ and Non- Ambient Investigations
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Structural characterisation of lanthanum manganese perovskite catalysts by in-situ X-ray powder diffraction
307
D. Stürmer, L. Giebeler and H. Fuess

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Structural aspects of oxygen stoichiometry in SrCo_0.6−xFe_0.2Nb_xO_3−z perovskites
313
M. Ivanov, A. Shmakov, O. Podyacheva and Z. Ismagilov

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Phase diagram of the PrAlO₃-GdAlO₃ system
319
T. Basyuk, V. Berezovets, D. Trots, S. Hoffmann, R. Niewa and L. Vasylechko

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High-temperature XRD investigation of spinel Mn_1.5Al_1.5O₄ decomposition
325
O. Bulavchenko, S. Tsybulya, E. Gerasimov, S. Cherepanova, T. Afonasenko and P. Tsyrulnikov

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Influence of Al ions on the reduction of Co_3-xAl_xO₄: in situ XRD investigation
331
S. Cherepanova, O. Bulavchenko, I. Simentsova, E. Gerasimov and A. Khassin

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Cs₂CuSi₅O₁₂ phase transition?
337
A. M. T. Bell and C. M. B. Henderson

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Hydrotalcite-like materials under high pressure
343
J. Darul, W. Nowicki, P. Piszora and C. Lathe

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“C₂AH₈“ – 2CaO·Al₂O₃·(8±n)H₂O – main hydration products of CAC
349
B. Raab and H. Pöllmann

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Low temperature structural studies of zinc substituted copper ferrite using synchrotron X-ray powder diffraction
355
W. Nowicki, J. Darul and A. M. T. Bell

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Phase transformation on mixed yttrium/sodium-MOFs, X-ray thermodiffractometry and structural modeling
361
Z. Amghouz, S. Khainakov, J. R. García and S. García-Granda

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Structural changes during the oxidation of micrometer-sized Al particles up to 1523 K in air
367
O. Schulz, N. Eisenreich, H. Fietzek, B. Eickershoff, M. Schneider and E. Kondratenko

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Evolution of CuInSe₂ lattice parameters in a broad temperature range
373
W. Paszkowicz, P. Piszora, R. Minikayev, M. Knapp, D. Trots, F. Firszt and R. Bacewicz

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IV.4.2 Determination of Crystal Structure; Structure Refinement
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Polymorphism of NaYF₄: Yb³⁺, Er³⁺ up-conversion luminescence materials
381
E. Harju, I. Hyppänen, J. Hölsä, J. Kankare, M. Lahtinen, M. Lastusaari, L. Pihlgren and T. Soukka

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XRD investigation of selective exchange process for di-octahedral smectite: Case of solution saturated by Cu²⁺ and Co²⁺ cation
389
W. Oueslati, M. Meftah, R. Chalghaf, H. Ben Rhaiem and A. Ben Haj Amara

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Synthesis of cation substituted A₂B₂O₅ perovskites with crystallographic shear planes
397
P. Tzvetkov, D. Kovacheva, D. Nihtianova and T. Ruskov

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New lanthanide phosphonates structures obtained using XRPD data
403
E. Fernández-Zapico, J. Montejo-Bernardo, S. García-Granda, J. R. García, G. R. Castro, F. Y. Liu and J. Rocha

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Structural formula determination of 2:1 Tunisian clay using XRD investigation
409
R. Chalghaf, S. Jebali, W. Oueslati, H. Ben Rhaiem and A. Ben Haj Amara

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IV.4.3 Determination of Magnetic Structure, Magnetic Materials
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Neutron diffraction and magnetic proper- ties of GaFe_1-xMn_xO₃ with x= 0.05 and 0.10
417
M. Bakr Mohamed, A. Senyshyn and H. Fuess

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IV.4.4 Microstructure, Phase Analysis
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Influence of quartz particle size of triaxial compositions on mullite formation in the obtained porcelains
425
A. Sanz, J. Bastida, M. A. Kojdecki, A. Caballero and F. J. Serrano

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Defect crystal structure of TiO(OH)₂ and related lithium salt Li₂TiO₃
431
N. V. Tarakina, R. B. Neder, L. G. Maksimova, I. R. Shein, Y. V. Baklanova and T. A. Denisova

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Quantification of Ammonium Sulphate Nitrate (ASN) fertilizers
437
J. M. Montejo-Bernardo, S. García-Granda and A. Fernández-González

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First identification of the tridymite form of AlPO₄ in municipal sewage sludge ash
443
B. Peplinski, C. Adam, H. Reuther, C. Vogel, B. Adamczyk, M. Menzel, F. Emmerling and F.-G. Simon

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Combined study of phase relations by X-ray diffractometry/Rietveld & EPMA in the system MnO_x-Al₂O₃-SiO₂-MgO
449
S. T. Bergold and M. Göbbels

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XRPD study of phase transformations accompanied with grain growth in the alumina-zirconia system
455
G. Kimmel, J. Zabicky, R. Shneck, A. Tsinman, Z. Shalle, J. D. Fidelus, S. Gierlotka and W. Lojkowski

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X-ray diffraction microstructural analysis in pyrites of peats from Moncófar marsh (Castellón, Spain)
461
M. A. Kojdecki, A. M. López-Buendía, J. Bastida and M. M. Urquiola

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XRD and MAS-NMR investigation of synthesized zeolite from 2:1 Tunisian clays: Effect of concentration of NaOH solution on the final product nature
467
M. Meftah, W. Oueslati and A. Ben Haj Amara

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IV.5 Organic Materials
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Polymer structure database and protein-polymer interactions
475
J. Hašek, J. Labský, T. Skálová, P. Kolenko, J. Dohnálek, J. Dušková, A. Štěpánková and T. Koval

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Phase transitions of FOX-7 investigated by temperature resolved X-ray diffraction
481
P. B. Kempa and M. Herrmann

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Semifluorinated PMMA / PSFMA diblock copolymers with multiple phase separation
487
D. Jehnichen, D. Pospiech, P. Friedel and S. S. Funari

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Author Index
XXV

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Publishing information

Pages and Images/Illustrations in book

eBook published on:

September 25, 2015

eBook ISBN:

9783486991321

Hardcover published on:

November 15, 2013

Hardcover ISBN:

9783486989403

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https://doi.org/10.1524/9783486991321

eBook ISBN: 9783486991321

Hardcover ISBN: 9783486989403

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European Powder Diffraction Conference; August 2010, Darmstadt, Germany

Overview

Topics

Table of contents

Frontmatter

PREFACE

Editorial Notes

European Powder Diffraction Conference Award for Young Scientists

European Powder Diffraction Conference Award for Distinguished Powder Diffractionists

Table of Contents

Complementarities between precession electron and X-ray powder diffraction

Differential Pair Distribution Function applied to Ce1-xGdxO2-x/2 system

A suitable method for quantitative phase analysis of samples with high amorphous content

UMo/Al nuclear fuel quantitative analysis via high energy X-ray diffraction

Microstrain in nanocrystalline samples from atomistic simulation

Simulating the temperature effect in a powder diffraction pattern with molecular dynamics

A new combined approach to investigate stacking faults in lamellar compounds

Factors affecting diffraction broadening analysis

Crystallite size evolution in hydrothermal formation of kaolinite

Particle statistics in synchrotron powder diffractometry

High energy milling of Cu2O powders

Defects in nanocrystalline ceria xerogel

Determination of crystallite size distribution histogram in nanocrystalline anatase powders by XRD

Crystal growth mechanism of kaolinites deduced from crystallite size distribution

Diffraction peak broadening of energetic materials

Calculation of a line profile for the diffractometer with a primary monochromator

Characterization of weakly deformed limestone from Chotec, Bohemia by neutron transmission

Multiple scattering from textured polycrystals

Powgen: A third-generation highresolution high-throughput powder diffraction instrument at the Spallation Neutron Source

Technical concept of the materials science beamline at ALBA

Instrumental calibration of laboratory X-ray powder diffractometers

New anti-air-scatter screen for powder XRD with linear position sensitive detectors

In-situ XRPD of hydrating cement with lab instrument: reflection vs. transmission measurements

In-house characterization of protein powder

Multiple reflections accompanying allowed and forbidden single reflections in bent Si-crystals

2θ-scanning 2D-area detector for high quality powder data collection using synchrotron radiation

Adaption of a Rietveld code towards clay structure description

Real-space powder diffraction computing on clusters of Graphics Processing Units

Evaluation of algorithms and weighting methods for MEM analysis from powder diffraction data

YAYLA, a program for handling area detector data of glasses

HTXRD study of atomic layer deposited noble metal thin films heat treated in oxygen

XRD real structure characterization of sputtered Au films different in thickness

Liquid-phase self-terminated growth of MOF thin films: An X-ray diffraction study

X-ray study of structure of the TiO2 nanotubes and nanowires

Core-Shell structure of nanocrystalline AlN in real and reciprocal spaces

Compression and thermal expansion of nanocrystalline TiN

Diffraction analysis of grain growth in nanocrystalline Ni-W powders prepared by mechanical milling

Orientational degeneracy of antiferromagnetic exchange striction in anisotropic ultrafine NiO nanocrystals

X-ray diffraction analysis of phases in weldments of super duplex stainless steels

X-ray studies of martensitic transformation in Fe-Ni alloys rapidly quenched from the melt

γ-α-γ-martensitic transitions influence on the martensite decomposition of quenched steel

Strain relaxation and grain growth in 316LVM stainless steel annealed under pressure

Influence of elastic stress on stainless steel corrosion

X-ray diffraction investigations on gas nitrided nickel and cobalt

Study of the ordering kinetics in Au4V alloy

Structural characterisation of lanthanum manganese perovskite catalysts by in-situ X-ray powder diffraction

Structural aspects of oxygen stoichiometry in SrCo0.6−xFe0.2NbxO3−z perovskites

Phase diagram of the PrAlO3-GdAlO3 system

High-temperature XRD investigation of spinel Mn1.5Al1.5O4 decomposition

Influence of Al ions on the reduction of Co3-xAlxO4: in situ XRD investigation

Cs2CuSi5O12 phase transition?

Hydrotalcite-like materials under high pressure

“C2AH8“ – 2CaO·Al2O3·(8±n)H2O – main hydration products of CAC

Low temperature structural studies of zinc substituted copper ferrite using synchrotron X-ray powder diffraction

Phase transformation on mixed yttrium/sodium-MOFs, X-ray thermodiffractometry and structural modeling

Structural changes during the oxidation of micrometer-sized Al particles up to 1523 K in air

Evolution of CuInSe2 lattice parameters in a broad temperature range

Polymorphism of NaYF4: Yb3+, Er3+ up-conversion luminescence materials

XRD investigation of selective exchange process for di-octahedral smectite: Case of solution saturated by Cu2+ and Co2+ cation

Synthesis of cation substituted A2B2O5 perovskites with crystallographic shear planes

New lanthanide phosphonates structures obtained using XRPD data

Structural formula determination of 2:1 Tunisian clay using XRD investigation

Neutron diffraction and magnetic proper- ties of GaFe1-xMnxO3 with x= 0.05 and 0.10

Influence of quartz particle size of triaxial compositions on mullite formation in the obtained porcelains

Defect crystal structure of TiO(OH)2 and related lithium salt Li2TiO3

Quantification of Ammonium Sulphate Nitrate (ASN) fertilizers

First identification of the tridymite form of AlPO4 in municipal sewage sludge ash

Combined study of phase relations by X-ray diffractometry/Rietveld & EPMA in the system MnOx-Al2O3-SiO2-MgO

XRPD study of phase transformations accompanied with grain growth in the alumina-zirconia system

X-ray diffraction microstructural analysis in pyrites of peats from Moncófar marsh (Castellón, Spain)

Differential Pair Distribution Function applied to Ce_1-xGd_xO_2-x/2 system

High energy milling of Cu₂O powders

X-ray study of structure of the TiO₂ nanotubes and nanowires

Structural aspects of oxygen stoichiometry in SrCo_0.6−xFe_0.2Nb_xO_3−z perovskites

Phase diagram of the PrAlO₃-GdAlO₃ system

High-temperature XRD investigation of spinel Mn_1.5Al_1.5O₄ decomposition

Influence of Al ions on the reduction of Co_3-xAl_xO₄: in situ XRD investigation

Cs₂CuSi₅O₁₂ phase transition?

“C₂AH₈“ – 2CaO·Al₂O₃·(8±n)H₂O – main hydration products of CAC

Evolution of CuInSe₂ lattice parameters in a broad temperature range

Polymorphism of NaYF₄: Yb³⁺, Er³⁺ up-conversion luminescence materials

XRD investigation of selective exchange process for di-octahedral smectite: Case of solution saturated by Cu²⁺ and Co²⁺ cation

Synthesis of cation substituted A₂B₂O₅ perovskites with crystallographic shear planes

Neutron diffraction and magnetic proper- ties of GaFe_1-xMn_xO₃ with x= 0.05 and 0.10

Defect crystal structure of TiO(OH)₂ and related lithium salt Li₂TiO₃

First identification of the tridymite form of AlPO₄ in municipal sewage sludge ash

Combined study of phase relations by X-ray diffractometry/Rietveld & EPMA in the system MnO_x-Al₂O₃-SiO₂-MgO