BookDOI
Diffraction analysis of the microstructure of materials
TLDR
In this paper, a line profile analysis of X-ray diffraction patterns for investigation of nanocrystalline systems is presented, and a Bayesian/maximum entropy method for the certification of a Nanocrystallite-size NIST standard reference material is presented.Abstract:
1 Line Profile Analysis: A Historical Overview- 2 Convolution Based Profile Fitting- 3 Whole Powder Pattern Modelling: Theory and Applications- 4 Full Profile Analysis of X-ray Diffraction Patterns for Investigation of Nanocrystalline Systems- 5 Crystallite Size and Residual Strain/Stress Modeling in Rietveld Refinement- 6 The Quantitative Determination of the Crystalline and the Amorphous Content by the Rietveld Method: Application to Glass Ceramics with Different Absorption Coefficients- 7 Quantitative Analysis of Amorphous Fraction in the Study of the Microstructure of Semi-crystalline Materials- 8 A Bayesian/Maximum Entropy Method for the Certification of a Nanocrystallite-Size NIST Standard Reference Material- 9 Study of Submicrocrystalline Materials by Diffuse Scattering in Transmitted Wave- 10 Determining the Dislocation Contrast Factor for X-ray Line Profile Analysis- 11 X-ray Peak Broadening Due to Inhomogeneous Dislocation Distributions- 12 Determination of Non-uniform Dislocation Distributions in Polycrystalline Materials- 13 Line Profile Fitting: The Case of fcc Crystals Containing Stacking Faults- 14 Diffraction Elastic Constants and Stress Factors Grain Interaction and Stress in Macroscopically Elastically Anisotropic Solids The Case of Thin Films- 15 Interaction between Phases in Co-deforming Two-Phase Materials: The Role of Dislocation Arrangements- 16 Grain Surface Relaxation Effects in Powder Diffraction- 17 Interface Stress in Polycrystalline Materials- 18 Problems Related to X-Ray Stress Analysis in Thin Films in the Presence of Gradients and Texture- 19 Two-Dimensional XRD Profile Modelling in Imperfect Epitaxial Layers- 20 Three-Dimensional Reciprocal Space Mapping: Application to Polycrystalline CVD Diamondread more
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Journal ArticleDOI
The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts
Malte Behrens,Felix Studt,Igor Kasatkin,Stefanie Kühl,Michael Hävecker,Frank Abild-Pedersen,Stefan Zander,Frank Girgsdies,Patrick Kurr,Benjamin-Louis Kniep,Michael Tovar,Richard W. Fischer,Jens K. Nørskov,Jens K. Nørskov,Robert Schlögl +14 more
TL;DR: This work shows how to identify the crucial atomic structure motif for the industrial Cu/ZnO/Al2O3 methanol synthesis catalyst by using a combination of experimental evidence from bulk, surface-sensitive, and imaging methods collected on real high-performance catalytic systems in combination with density functional theory calculations.
Journal ArticleDOI
Microstructural design of hard coatings
TL;DR: In this article, the authors demonstrate the correlation between microstructure and mechanical as well as tribological properties of hard ceramic coatings and demonstrate that nanostructure dependent hardness increase (compared to hardness of the bulk counterparts) sustains higher annealing temperatures than hardness increase due to an increased density of point-and/or line-defects.
Journal ArticleDOI
Stress analysis of polycrystalline thin films and surface regions by X-ray diffraction
TL;DR: The components of the macroscopic mechanical stress tensor of a stressed thin film, coating, multilayer or the region near the surface of a bulk material can in principle be determined by X-ray diffraction as discussed by the authors.
Journal ArticleDOI
Size–strain line-broadening analysis of the ceria round-robin sample
Davor Balzar,Davor Balzar,N. Audebrand,Mark R. Daymond,Andrew N. Fitch,A.W. Hewat,J. I. Langford,A. Le Bail,Daniel Louër,O. Masson,C.N. McCowan,N. C. Popa,Peter W. Stephens,Brian H. Toby +13 more
TL;DR: The results of both a line-broadening study on a ceria sample and a size-strain round robin on diffraction line broadening methods, which was sponsored by the Commission on Powder Diffraction of the International Union of Crystallography, are presented in this paper.
Journal ArticleDOI
Metrological characterization of X-ray diffraction methods for determination of crystallite size in nano-scale materials
Vladimir Uvarov,Inna Popov +1 more
TL;DR: In this paper, the authors used the Scherrer equation and the Warren-Averbach method to calculate the size of TiO2 nanocrystalline powders from X-ray diffraction data.