In industrial or project-oriented research laboratories, X-Ray Diffraction (XRD) is often seen as "more art then science" technique due to

• wide variation between results from XRD vs. well-established methods (SEM/TEM/DLS),
• large margin for interpretation, disputes and ambiguities,
• relatively high costs.

Indeed, within nanomaterials research area, there are legitimate reasons to think so, as nanocrystals violate assumptions of a number of established diffraction theorems driving them towards unstableness or even singularities. Experienced XRD experts are trained to deal with the matter, but industrial or high-throughput research laboratories require unconditional reliability, reproducibility and specific accuracy (error bars) of the analysis.

Diffraction theories suitable for nanocrystals, i.e. got rid of infinite crystal size assumptions, are woefully complex, however. In recognition of the problem, a mild-complex diffraction theory for nanomaterials wrapped in a user-friendly web-based service has been attempted.

It is aimed to provide browser-based tool that performs microstructural analysis of nanocrystalline materials by nearly automatic processing of powder XRD pattern. Employed diffraction theory takes into account finite crystallite sizes, distribution of sizes (Grain Size Distribution), provides reliable error bars and authoritative status information (quality/quantity of input data in/sufficient for the processing).

The tool, named "Nanopowder XRD Processor Demo", is now available for testing, free for academic research, at web address http://science24.com/xrd/

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1. Initial abstract
2. 2nd abstract
3. Real Time Characterisation of nanoMaterials
4. Localization of rare-earth dopants in the lattice of nanocrystalline ZrO₂ - EXAFS study
5. X-ray and electron microscopy techniques studies on nanocrystalline MgO powder materials prepared by sol-gel method
6. Statystyczna analiza deklarowanych kierunków rozwoju nowoczesnych materiałów w projekcie FOREMAT w powiązaniu z tematami polskich prac doktorskich, habilitacyjnych i grantów KBN
7. Error bars in powder diffraction
8. Characterization of nanopowders
9. Structure of nanocrystalline powders of MgO prepared by sol-gel method
10. Microwave technique applied on the hydrothermal synthesis and sintering of calcia stabilized zirconia nanoparticles
11. Localization of rare-earth dopants in the lattice of nanocrystalline ZrO₂ - EXAFS study
12. Characterization of nanocrystalline ZrO₂ doped with Rare-Earth elements synthesized via High Pressure Hydrothermal Method
13. Structure studies on nanocrystalline MgO powders prepared by sol-gel method dried under different conditions
14. Morphology of Al doped Zinc Oxide Obtained using Hydrothermal and Vapour Condensation Methods
15. Investigations of phase composition and grain size distribution in Pr doped ZrO2
16. Morphology of Al doped zinc oxide obtained by the vapour condensation method
17. Accuracy of XRD size measurements of nanocrystals
18. Morphology of Al-Doped Zinc Oxide Obtained by the Vapour Condensation Methods
19. Application of XRD diffraction methods for determination of grain size distribution in nanoparticles
20. Grain Size and Grain Size Distribution of Nanocrystalline Pr-doped Zirconia Powders Obtained in High Pressure Microwave Reactor
21. Measuring the Grain Size Distribution of Pr-doped Zirconia Nanopowders obtained by Microwave Driven Hydrothermal Synthesis
22. Analytical expression for Diffraction Line Profile for polydispersive powders
23. FW1/5-4/5M method for determination of the Grain Size Distribution from powder diffraction line profile
24. Dyfrakcyjne badania mikrostruktury polikryształów nanometrowych poddawanych działaniu wysokiego ciśnienia
25. Precise determination of full Grain Size Distribution from diffraction peak profile as a result of kinematical theory of diffraction for polidispersive nanomaterials
26. X-Ray Characterization of Nanostructured Materials
27. Generetion and Relaxation of Strain in SiC and GaN under Extreme Pressure
28. Influence of high pressure on the polytype structure of nanocrystalline GaN
29. Transformation of fractal microstructure of nanocrystalline SiC and diamond in high pressures - Small Angle Scattering Study