International Center for Diffraction Data

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International Center for Diffraction Data

Kennett Square, PA, United States
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News Article | May 16, 2017

Rigaku Corporation has published an application report on its global website demonstrating the utility of X-ray diffraction (XRD) in the analysis of complex organic mixtures. The analysis described was performed using the Rigaku MiniFlex general purpose X-ray diffractometer and highlights the capacities of the instrument’s analysis software. The ingredients of food components can be difficult to identify. The example presented in the article describes the analysis of pancake mix. In this case, primary ingredients such as brown sugar, baking powder, and flour are the important factors to control in the production process, rather than the molecular compounds that make up the ingredients. Phase identification using X-ray diffraction involves the collection of XRD patterns on unknown samples and comparing them to patterns obtained from known materials. Although the primary database for these XRD patterns is compiled and maintained by the International Center for Diffraction Data (ICDD), the preferred XRD patterns for the primary ingredients may not all be present in the database. In such cases, the MiniFlex analysis software allows users to make their own databases based on user- collected patterns from common or significant materials in the process. Phase identification and quality control of the pancake mix can therefore be done by collecting XRD patterns of the individual ingredients and adding them to the user database of the software. The results displayed in the report are derived from the individual raw ingredients being scanned and overlaid. Each of the individual raw materials was scanned and the patterns were saved to a database. The results show the overlay of newly added patterns to the database with the original XRD pancake mix pattern, confirming the identity of the individual compounds. The pancake article, along with other food science-related XRD analyses, can be seen at About Rigaku Since its inception in Japan in 1951, Rigaku has been at the forefront of analytical and industrial instrumentation technology. Rigaku and its subsidiaries form a global group focused on general-purpose analytical instrumentation and the life sciences. With hundreds of major innovations to their credit, Rigaku companies are world leaders in X-ray spectrometry, diffraction, and optics, as well as small molecule and protein crystallography and semiconductor metrology. Today, Rigaku employs over 1,400 people in the manufacturing and support of its analytical equipment, which is used in more than 90 countries around the world supporting research, development, and quality assurance activities. Throughout the world, Rigaku continuously promotes partnerships, dialog, and innovation within the global scientific and industrial communities. For further information, contact:

Huang Z.,University of California at Los Angeles | Huang Z.,Carl Zeiss GmbH | Bartels M.,University of Gottingen | Xu R.,University of California at Los Angeles | And 9 more authors.
Nature Materials | Year: 2015

In situ X-ray diffraction (XRD) and transmission electron microscopy (TEM) have been used to investigate many physical science phenomena, ranging from phase transitions, chemical reactions and crystal growth to grain boundary dynamics. A major limitation of in situ XRD and TEM is a compromise that has to be made between spatial and temporal resolution. Here, we report the development of in situ X-ray nanodiffraction to measure high-resolution diffraction patterns from single grains with up to 5 ms temporal resolution. We observed, for the first time, grain rotation and lattice deformation in chemical reactions induced by X-ray photons: Br- + hv → Br + e- and e- + Ag+ → Ag0. The grain rotation and lattice deformation associated with the chemical reactions were quantified to be as fast as 3.25 rad s-1 and as large as 0.5 Å, respectively. The ability to measure high-resolution diffraction patterns from individual grains with a temporal resolution of several milliseconds is expected to find broad applications in materials science, physics, chemistry and nanoscience. © 2015 Macmillan Publishers Limited.

Petkov V.,Central Michigan University | Ren Y.,Argonne National Laboratory | Kabekkodu S.,International Center for Diffraction Data | Murphy D.,Bristol Myers Squibb
Physical Chemistry Chemical Physics | Year: 2013

Results of high-energy X-ray diffraction experiments coupled to atomic pair distribution function analysis of disordered low-Z materials are presented. Several scientifically and technologically important classes of disordered low-Z materials such as small and large organic molecules, graphitic powders, polymers and liquids are intentionally explored to certify the technique's performance. Results clearly show that disordered low-Z materials can be well characterized in terms of material's phase identity, relative abundance in mixtures and atomic-scale structure. The demonstrated efficiency of the technique provides the scientific community with much needed confidence to apply it more often than now. © 2013 The Owner Societies.

Khapli S.,Abu Dhabi University | Rianasari I.,Abu Dhabi University | Sharma S.,Abu Dhabi University | Blanton T.,International Center for Diffraction Data | Jagannathan R.,Abu Dhabi University
Materials Today: Proceedings | Year: 2016

We report a versatile method for the fabrication of hierarchically structured porous ceramic films through a non-vacuum, aerosol-based deposition technique. Our method consists of evaporation of CO2-enriched water microdroplets containing dissolved organic salts and yields a variety of porous scaffolds with micron-sized pores. In addition, the films are characterized by a hierarchy of structural features, such as nanowires, nanorods, 2-dimensional crystals, or nanopores. This scalable, environment-friendly method is applicable to a wide variety of ceramic materials and can lead to materials with an improved performance in catalysis, sensors, solar cells, fuel cells, and tissue engineering. © 2016 Elsevier Ltd.

PubMed | Abu Dhabi University and International Center for Diffraction Data
Type: | Journal: Scientific reports | Year: 2016

Inspired by the discovery of graphene and its unique properties, we focused our research to develop a scheme to create nacre like lamellar structures of molecular sheets of CaCO3 interleaved with an organic material, namely carbon. We developed a facile, chemical template technique, using a formulation of poly(acrylic) acid (PAA) and calcium acetate to create lamellar stacks of single crystal sheets of CaCO3, with a nominal thickness of 17, the same as a unit-cell dimension for calcite (c-axis=17.062), interleaved with amorphous carbon with a nominal thickness of 8. The strong binding affinity between carboxylate anions and calcium cations in the formulation was used as a molecular template to guide CaCO3 crystallization. Computational modeling of the FTIR spectra showed good agreement with experimental data and confirmed that calcium ions are bridged between polymer chains, resulting in a net-like polymer structure. The process readily lends itself to explore the feasibility of creating molecular sheets of other important inorganic materials and potentially find applications in many fields such as super capacitors and low k di-electric systems.

Rianasari I.,United Arab Emirates University | Weston J.,United Arab Emirates University | Rowshan R.,United Arab Emirates University | Blanton T.,International Center for Diffraction Data | And 2 more authors.
Journal of Applied Polymer Science | Year: 2015

We report the formation of cohesive, mechanically robust thin films of Teflon-AF formed via self-assembly of nanoparticles at both air/water and oil/water interfaces of micro-emulsion droplets. We also present results of morphological and mechanical investigations of thin films formed at these oil/water interfaces. Scanning electron microscope and low angle X-ray diffraction characterization of drop cast thin films from the micro-emulsions showed the presence of stacks of nanosheets with an average thickness of 6 nm. Atomic force microscopy (AFM) characterization put the thickness at a much lower value of around 2 nm implying that these sheets are comprised of molecular sheets of Teflon-AF. AFM characterization also indicated that these sheets are stretched molecular films comprising inter-diffused molecular chains, arranged in a regular fashion. Nanoindentation studies of these films unambiguously demonstrated the "tablet sliding" mechanism, similar to nacre, for dissipating applied stress. © 2014 Wiley Periodicals, Inc.

Blanton T.,International Center for Diffraction Data
Spectroscopy (Santa Monica) | Year: 2016

Heading into the 2016 Denver Xray Conference in Chicago this July, we asked several leading scientists, all of whom who will be speaking at the conference, to discuss recent developments and trends in Xray fluorescence (XRF) and Xray diffraction (XRD) techniques. Below, Tanja Paunesku of Northwestern University, John A. Anzelmo of Anzelmo & Associates, Carlos R. Appoloni of the State University of Londrina in Brazil, Herbert Poellmann of the University of Halle in Germany, and Tom Blanton of the International Centre for Diffraction Data discuss various aspects of their work with these techniques, including developments in XRF microscopy, advances in sample preparation for XRF, the role of XRF in cultural heritage studies, the use of XRD in the analysis of highperformance building materials, and recent progress in twodimensional XRD detection. © 2016 Advanstar Communications, Inc. All rights reserved.

Jalarvo N.,Oak Ridge National Laboratory | Gourdon O.,Oak Ridge National Laboratory | Gourdon O.,International Center for Diffraction Data | Bi Z.,Oak Ridge National Laboratory | And 4 more authors.
Chemistry of Materials | Year: 2013

Combined experimental study of impedance spectroscopy, neutron powder diffraction, and quasielastic neutron scattering was performed to shed light onto the atomic-scale ion migration processes of protons and oxide ions in La0.8Ba1.2GaO3.9. This material consists of tetrahedral GaO4units, which are rather flexible, and rocking motion of these units promotes the ionic migration process. The oxide ion (vacancy) conduction takes place on channels along the c axis, involving a single elementary step, which occurs between adjacent tetrahedra (intertetrahedra jump). The proton conduction mechanism consists of intratetrahedron and intertetrahedra elementary processes. The intratetrahedron proton transport along the c axis is the rate-limiting process, with activation energy of 0.44 eV. The intertetrahedra proton transport has the activation energy of 0.068 eV. © 2013 American Chemical Society.

Sagnella D.E.,International Center for Diffraction Data | Foster E.,International Center for Diffraction Data
Powder Diffraction | Year: 2014

A new software application has been developed to provide a convenient method for the submission of diffraction data directly to the International Centre for Diffraction Data, for inclusion in the Powder Diffraction File (PDF)™. The application, titled Genie, acts as a portal for the merging of data from separate sources allowing the user to quickly and easily submit their data for the PDF. Using Java Web Start technology Genie can be run using all common computer platforms. Genie is flexible and can be used to read a variety of common file formats. Furthermore, Genie can also be used for submission of New Diffraction Data for publication in the Powder Diffraction Journal. © 2014 International Centre for Diffraction Data.

Messick J.,International Center for Diffraction Data
Powder Diffraction | Year: 2012

The International Centre for Diffraction Data has a colorful history, starting as a small task group of involved and interested scientists and progressing through a number of evolutionary steps that were required to deliver scientific products and services globally. The results of these efforts can be found in numerous scientific publications that focus on basic physics, method development, and analyses of the material identification of solid-state materials. This article examines the evolution of the organization through its members and employees. © 2012 International Centre for Diffraction Data.

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