Synchrotron radiation: science & applications

This general talk is devoted to briefly introduce the main uses and applications of synchrotron radiation. An initial introduction will be dedicated to describe a synchrotron as a Large Facility devoted to produce photons that will be used to carry out excellent science. The five outstanding main characteristics of synchrotron radiation are: i) High brilliance and collimation ii) Wavelength tunability iii) Beamsize tunability iv) Defined polarization v) Time structure vi) (Partial) coherence These properties will be illustrated through selected examples ranging from biomedicine (f.i. determination of the crystal structure of macromolecules from tiny crystals or cryo- nano tomography of individual cells by soft X-ray transmission microscopy) to materials science (f.i. experiments of powder diffraction of materials under high pressure in diamond-anvil-cells), from cultural heritage (f.i. the study of degradation of pigments in paints by X-ray absorption spectroscopy) to cements (f.i. the hydration chemistry of eco-cements followed by in-situ powder diffraction), and from basic research on magnetic materials (f.i. ferromagnets where the magnetism of individual metal transition elements are selectively followed by X-ray Magnetic Circular Dicroism) to industrial applications on chocolate (f.i. small X-ray scattering as function of temperature of the polymorphs of cacao).Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Powder diffraction at ALBA synchrotron

This talk is devoted to explain the uses of powder diffraction at MSPD (material science and powder diffraction) of ALBA synchrotron light source. General characteristics of the beamline are: Station 1 - High Pressure Diffraction on powders with diamond anvil cell (DAC) and CCD detector. Microdiffraction; and Station 2 - High Resolution Powder Diffraction with Multicrystal- and Silicon-Strip detector. Energy Range: 8-50keV; Typical beam size: 4x1mm; all typical sample geometries possible: capillary, reflection and flat sample in transmission. Initially the setups are described in detail both in the optics hutch and in the experimental hutch. In the high-pressure end station, we can highlight: i) sample alignment semi-automatic; ii) data acquisition and reduction integrated within the beamline control system; iii) online pressure calibration system operational and several upgrades which are under commissioning: i) system for Membrane DAC, Automatic Drive System (change the pressure from outside the hutch); ii) Gas Membrane kit for Almax-Boehler DAC cell (from screw-driven to gas membrane driven); iii) low temperature cryostat and high temperature DAC cell projects are on-going. In the high resolution powder diffraction end station, we can highlight: i) a diffractometer with 3 concentric rotary stages (for two detectors); ii) one very high resolution detector MAD26 (10 – 50KeV), devoted to high resolution ~0.005° [13 channels with 1.5 deg pitch, Si111 Bragg crystals, YAP scintillator + PMT]; iii) MythenII (8 – 30 keV) for fast acquisitions [6 modules that cover 40 deg 0.005 pitch angle, with millisecond resolution]; iv) Temperature range 80 – 900K; v) Eulerian Cradle optional. Then, the main applications will be dealt with based on examples that expands from structure solution of zeolites to the in-situ studies of perovskite catalyst under H2 atmosphere at high temperatures. Total scattering (pair distribution function analysis) will also be presented. The high-pressure studies will be exemplified by studies of materials in DAC.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Powder diffraction at ALBA synchrotron

This talk is devoted to explain the uses of powder diffraction at MSPD (material science and powder diffraction) of ALBA synchrotron light source. General characteristics of the beamline are: Station 1 - High Pressure Diffraction on powders with diamond anvil cell (DAC) and CCD detector. Microdiffraction; and Station 2 - High Resolution Powder Diffraction with Multicrystal- and Silicon-Strip detector. Energy Range: 8-50keV; Typical beam size: 4x1mm; all typical sample geometries possible: capillary, reflection and flat sample in transmission. Initially the setups are described in detail both in the optics hutch and in the experimental hutch. In the high-pressure end station, we can highlight: i) sample alignment semi-automatic; ii) data acquisition and reduction integrated within the beamline control system; iii) online pressure calibration system operational and several upgrades which are under commissioning: i) system for Membrane DAC, Automatic Drive System (change the pressure from outside the hutch); ii) Gas Membrane kit for Almax-Boehler DAC cell (from screw-driven to gas membrane driven); iii) low temperature cryostat and high temperature DAC cell projects are on-going. In the high resolution powder diffraction end station, we can highlight: i) a diffractometer with 3 concentric rotary stages (for two detectors); ii) one very high resolution detector MAD26 (10 – 50KeV), devoted to high resolution ~0.005° [13 channels with 1.5 deg pitch, Si111 Bragg crystals, YAP scintillator + PMT]; iii) MythenII (8 – 30 keV) for fast acquisitions [6 modules that cover 40 deg 0.005 pitch angle, with millisecond resolution]; iv) Temperature range 80 – 900K; v) Eulerian Cradle optional. Then, the main applications will be dealt with based on examples that expands from structure solution of zeolites to the in-situ studies of perovskite catalyst under H2 atmosphere at high temperatures. The high-pressure studies will be exemplified by studies of materials in DAC.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Synchrotron Radiation and ALBA Facility

ALBA synchrotron light source (www.cells.es) is the largest Spanish research infrastructure that started full operation of its first 7 beamlines on February 2013. I will divide the talk in three parts: i) the general description of the facility; ii) the eight beamlines currently operating at ALBA; and iii) the three beamlines which are under design/construction. I will start with a very brief description of the facility including the construction costs, staff structure and general parameters. Then, I will briefly describe our three accelerators: LINAC, booster and the store ring. Some characteristic parameters will be described. To finish this part, I will touch the three main magnetic technologies to produce X-rays from the ALBA electron beam. Secondly, I will concisely describe the eight beamlines with their main application fields. A photography of our experimental hall with a Table displaying the current beamlines is shown just below. The ways to use ALBA including the call-for-proposals will be described. The proposals (both national and internationals) are judged by an international panel on the basis of scientific excellence. Finally, I will briefly explain the current construction stage of the new beamlines.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

ALBA Synchrotron Light Source

ALBA synchrotron light source (www.cells.es) is the largest Spanish research infrastructure that started full operation of its first 7 beamlines on February 2013. I will divide the talk in three parts: i) the general description of the facility; ii) the seven bealines and current ALBA usage; and iii) the future ALBA beamlines and possibilities for collaboration. Two beamlines (phase-II) are under construction and six proposals for new beamlines (phase-III) have been positively evaluated by ALBA-SAC (Scientific Advisory Committee). I will start with a very brief description of the facility including the construction costs, staff structure and general parameters. Then, I will briefly describe our three accelerators: LINAC, booster and the store ring. Some characteristic parameters will be described. To finish this part, I will touch the three main magnetic technologies to produce X-rays from the ALBA electron beam. Secondly, I will concisely describe the seven beamlines with their main application fields. A photography of our experimental hall with a Table displaying the seven current beamlines is shown just below. The ways to use ALBA including the call-for-proposals will be described. The proposals (both national and internationals) are judged by an international panel on the basis of scientific excellence. Thirdly, I will briefly explain the current phase II with the construction of two beamlines, infrared microspectroscopy and angular-resolved photoemission. Finally, I will then present the plans for the phase-III beamlines as well as examples of ways to collaborate with ALBA synchrotron.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

The role of raw powder diffraction data in peer review; past, present and future

Scientific data in our community can be classified, in broad terms, in three large categories: raw, reduced and derived data. IUCr has been very active in promoting the sharing of reduced and derived data for decades in independently-verified databases. The need for raw data sharing is clearly increasing, being nowadays technically feasible and likely cost-effective. Powder diffraction (PD) community is a subgroup of the crystallographic community dealing with several goals, mainly (1) average crystal structure determination; (2) quantitative phase analyses; (3) microstructural analyses; and (4) local structure determination and quantitative analyses of nanocrystalline materials. For PD, derived data for objectives (2) and (3) and to a large extend (4) can not be incorporated in ‘standard’ databases. Derived data are not independently validated, and therefore and in my opinion, the need for sharing raw PD data is even more compelling than that of sharing raw single crystal diffraction data. So, if raw diffraction data sharing is approaching, we have the responsibility to ensure that this action is useful. Hence, and as stated by John Helliwell in the introduction of this workshop, two conditions must be fulfilled. On the one hand, and from the computing point of view, the shared data must be findable, accessible, interoperable and reusable – i.e. comply with FAIR standards. However, this is necessary but not sufficient. On the other hand, and from the involved scientific community point of view, the shared data must have sufficient quality. They must be true facts and the ‘FACT and FAIR’ term has been coined. Incorporating raw powder diffraction data ‘check/validation’ in the peer review process, the FACT nature of the raw data could be established. Or at least, a minimum quality level could be ensured. Some ideas (and experiences) will be developed in the meeting, including the use of shared raw powder diffraction data by meticulous reviewers. .....Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech. BIA2014-57658 and BIA2017-82391-

Diffraction for industries, businesses and health

Se adjunta abstract en PDF- PDF abstract is attachedBIA2017-82391-R cofinanciado con FEDER Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Combining laboratory X-ray powder diffraction and microtomography for studying cement hydration

Se da en documento adjunto con gráficos.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Sharing powder diffraction raw data : challenges and benefits

Scientific data are as important as scientific publications. If this statement holds true, why are we not routinely sharing scientific data? The tools are now out there, for instance Zenodo and related repositories. It could be a lack of motivation of researchers derived from an apparent lack of short-term reward. Here the author will try to show the importance of sharing ready-to-analyse raw powder diffraction data with immediate benefits for authors and for the wider community. Moreover, it is speculated that sharing curated scientific data may have more important medium-term benefits, including credibility and not least reproducibility. Raw data sharing is coming

Rheological and hydration characterization of calcium sulfoaluminate cement pastes

Calcium sulfoaluminate (CSA) cements are currently receiving a lot of attention because their manufacture produces less CO2 than ordinary Portland cement (OPC). However, it is essential to understand all parameters which may affect the hydration processes. This work deals with the study of the effect of several parameters, such as superplasticizer (SP), gypsum contents (10, 20 and 30 wt%) and w/c ratio (0.4 and 0.5), on the properties of CSA pastes during early hydration. This characterization has been performed through rheological studies, Rietveld quantitative phase analysis of measured x-ray diffraction patterns, thermal analysis and mercury porosimetry for pastes, and by compressive strength measurements for mortars. The effect of the used SP on the rheological properties has been established. Its addition makes little difference to the amount of ettringite formed but strongly decreases the large pore fraction in the pastes. Furthermore, the SP role on compressive strength is variable, as it increases the values for mortars containing 30 wt% gypsum but decreases the strengths for mortars containing 10 wt% gypsum.This work has been supported by Spanish Ministry of Science and Innovation through MAT2010- 16213 research grant, which is co-funded by FEDER, and Ramón y Cajal Fellowship (RYC-2008- 03523)