Search results for " X-ray diffraction"

showing 10 items of 44 documents

In situ high-pressure synchrotron X-ray diffraction study of the structural stability in NdVO4 and LaVO4

2014

Abstract Room-temperature angle-dispersive X-ray diffraction measurements on zircon-type NdVO 4 and monazite-type LaVO 4 were performed in a diamond-anvil cell up to 12 GPa. In NdVO 4 , we found evidence for a non-reversible pressure-induced structural phase transition from zircon to a monazite-type structure at 6.5 GPa. Monazite-type LaVO 4 also exhibits a phase transition but at 8.6 GPa. In this case the transition is reversible and isomorphic. In both compounds the pressure induced transitions involve a large volume collapse. Finally, the equations of state and axial compressibilities for the low-pressure phases are also determined.

DiffractionCeramicsPhase transitionMaterials scienceHigh-pressureMechanical EngineeringAnalytical chemistryCrystal structureCondensed Matter PhysicsX-ray diffractionCrystallographyVolume (thermodynamics)Mechanics of MaterialsStructural stabilityvisual_artX-ray crystallographyvisual_art.visual_art_mediumCompressibilityGeneral Materials ScienceCeramicCeramics; High-pressure; X-ray diffractionMaterials Research Bulletin
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Energy dispersive X-ray diffraction potentiality in the field of cultural heritage: simultaneous structural and elemental analysis of various artefac…

2007

The applicability of an Energy Dispersive X-ray Diffractometer to some technical questions in the field of Cultural Heritage is presented. This diffractometer, equipped with a white source, has been utilized for the structural and elemental analysis of some items having different nature. Given its design, the instrument allows to collect data from samples as big as a book or a little more. Samples, without collection of any portion and without any preliminary preparation, have been placed in the instrument and spectra have been collected in a wide energy range that contains X-ray fluorescence and diffraction features. In all cases, data acquired in air and in a non destructive way were reli…

DiffractionMaterials scienceField (physics)business.industryAnalytical chemistrycultural heritageAnalytical ChemistryCultural heritageOpticsSpectrometry FluorescenceX-Ray DiffractionElemental analysiscultural heritage; edxdNon destructiveedxdMicroscopy Electron ScanningEnergy-dispersive X-ray diffractionEDXD Cultural HeritagebusinessArtGeneral Environmental ScienceDiffractometerAnnali di chimica
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LiCrO2 Under Pressure: In-Situ Structural and Vibrational Studies

2018

The high-pressure behaviour of LiCrO2, a compound isostructural to the battery compound LiCoO2, has been investigated by synchrotron-based angle-dispersive X-ray powder diffraction, Raman spectroscopy, and resistance measurements up to 41, 30, and 10 Gpa, respectively. The stability of the layered structured compound on a triangular lattice with R-3m space group is confirmed in all three measurements up to the highest pressure reached. The dependence of lattice parameters and unit-cell volume with pressure has been determined from the structural refinements of X-ray diffraction patterns that are used to extract the axial compressibilities and bulk modulus by means of Birch&ndash

DiffractionMaterials sciencehigh-pressureHigh-pressureGeneral Chemical EngineeringThermodynamics02 engineering and technology01 natural sciencesInorganic Chemistrysymbols.namesakeElectrical resistance and conductanceElectrical resistivity and conductivity0103 physical scienceslcsh:QD901-999General Materials ScienceHexagonal lattice010306 general physicsequation of stateBulk modulusEquation of state021001 nanoscience & nanotechnologyCondensed Matter PhysicsX-ray diffractionX-ray crystallographyhigh-pressure; X-ray diffraction; Raman spectroscopy; equation of stateRaman spectroscopysymbolslcsh:Crystallography0210 nano-technologyRaman spectroscopyPowder diffraction
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High-pressure phase transformations in NdVO4 under hydrostatic, conditions: a structural powder x-ray diffraction study

2019

Room temperature angle dispersive powder x-ray diffraction experiments on zircon-type NdVO4 were performed for the first time under quasi-hydrostatic conditions up to 24.5 GPa. The sample undergoes two phase transitions at 6.4 and 19.9 GPa. Our results show that the first transition is a zircon-to-scheelite-type phase transition, which has not been reported before, and contradicts previous non-hydrostatic experiments. In the second transition, NdVO4 transforms into a fergusonite-type structure, which is a monoclinic distortion of scheelite-type. The compressibility and axial anisotropy of the different polymorphs of NdVO4 are reported. A direct comparison of our results with former experime…

DiffractionPhase transitionEquation of stateMaterials scienceThermodynamics02 engineering and technologyzircon01 natural scienceszircon; scheelite; x-ray diffraction; high pressure; equation of state; phase transition; orthovanadatescheeliteorthovanadatePhase (matter)0103 physical sciencesGeneral Materials Science010306 general physicsAnisotropyequation of state021001 nanoscience & nanotechnologyCondensed Matter Physicshigh pressurex-ray diffractionphase transitionX-ray crystallographyCompressibility0210 nano-technologyMonoclinic crystal system
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In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography

2012

A single crystal of garnet enclosed in a diamond from the Jericho kimberlite (Slave Craton, Canada) has been investigated using X-ray diffraction and X-ray micro-tomography. The novel experimental approach allowed us to determine the crystal structure of the garnet. The unit-cell edge a and fractional atomic coordinates of oxygen were used to determine the composition via an updated Margules model for garnets. The composition is Pyr(0.41(5))Alm(0.36(7))Gro(0.22(1))Uva(0.01(1)), which is indistinguishable from the eclogitic garnets found in other Jericho diamonds. We also demonstrated that residual pressures on the inclusion of up to 1 GPa do not affect significantly the determination of the…

Diffractiondiamond garnet inclusion residual pressure x-ray diffraction x-ray micro-tomography jericho kimberliteAnalytical chemistryMineralogyCrystal structureJericho kimberliteengineering.materialdiamondGeochemistry and PetrologyInclusionSettore GEO/06 - MineralogiaX-rayDiamondgarnetx-ray micro-tomographyX-ray diffractionresidual pressurex-ray microtomographydiamond; garnet; Inclusion; X-ray diffraction; x-ray microtomographyX-ray crystallographyengineeringInclusion (mineral)Single crystalKimberliteGeology
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STACKING-FAULTS IN VERY FINE PALLADIUM PARTICLES SUPPORTED ON PUMICE

1990

By means of an X-ray diffraction study, carried out with best-fitting procedures, of the asymmetry and peak maximum shifts of some reflections, stacking-faults in the FCC lattice of very fine palladium particles supported on pumice were detected using the Warren-Wagner-Cohen theoretical approach.

DiffractionmicrostructureStackingMineralogychemistry.chemical_elementmicrostructure; pumice; Stacking-faults; X-ray diffraction of palladium particles;General ChemistryMicrostructureStacking-faultsCatalysischemistryTransition metalPumicepumiceX-ray crystallographyComposite materialX-ray diffraction of palladium particlesPalladiumStacking fault
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The new 5- or 6-azapyrimidine and cyanuric acid derivatives of L-ascorbic acid bearing the free C-5 hydroxy or C-4 amino group at the ethylenic space…

2011

Abstract We report on the synthesis of the novel types of cytosine and 5-azacytosine (1–9), uracil and 6-azauracil (13–18) and cyanuric acid (19–22) derivatives of l -ascorbic acid, and on their cytostatic activity evaluation in human malignant tumour cell lines vs. their cytotoxic effects on human normal fibroblasts (WI38). The CD spectra analysis revealed that cytosine (5 and 6), uracil (14–16), 6-azauracil (17) and cyanuric acid (21) derivatives of l -ascorbic acid bearing free amino group at ethylenic spacer existed as a racemic mixture of enantiomers, whereas L-ascorbic derivatives containing the C-5 substituted hydroxy group at the ethylenic spacer were obtained in (4R, 5S) enantiomer…

Double bondStereochemistryAscorbic AcidCrystallography X-Ray010402 general chemistry01 natural sciencesCell LineCytosineInhibitory Concentration 50Structure-Activity Relationship03 medical and health scienceschemistry.chemical_compound0302 clinical medicineDrug DiscoveryHumansUracilta116Pharmacologychemistry.chemical_classificationTriazinespyrimidine and cyanuric acid derivatives; L-ascorbic acid; circular dichroism; cytostatic activity evaluation; X-ray diffractionOrganic ChemistryAbsolute configurationHydrogen BondingStereoisomerismUracilBiological activityHep G2 CellsGeneral MedicineFibroblastsCytostatic AgentsAscorbic acidpyrimidine and cyanuric acid derivatives ; L-ascorbic acid ; circular dichroism ; cytostatic activity evaluation ; X-ray diffraction ; cell cycle analysis0104 chemical sciences3. Good healthchemistry030220 oncology & carcinogenesisS Phase Cell Cycle CheckpointsMCF-7 CellsCyanuric acidCytosineLactoneHeLa Cells
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Tools for studying water vapor at high temperatures

2014

1. Kinetics and Oxidation Mechanisms 1.1 Experimental Devices that Produce Water Vapor1.2 Using the Jump Method to Understand Oxidation Mechanisms and Kinetics1.3 Detection of Breakaway Oxidation with Acoustic Emission during Thermal Oxide Scale Growth 1.4 Stress Analysis during and after Oxidation 2. Characterization 2.1 Use and Potential of Environmental SEM (ESEM) in High-Temperature Oxidation and Corrosion Studies in Wet Air 2.2 In Situ X-Ray Diffraction for Water Vapor Analyses2.3 Use of Synchrotron Beam for Evaluating the Influence of Water Vapor on the Corrosion of Metallic Materials 2.4 Raman Spectrometry2.5 In Situ Steam Oxidation Chamber Coupled to XPS 2.6 Hydrogen Profiling in Ox…

GDOESERDA[SPI.GPROC] Engineering Sciences [physics]/Chemical and Process EngineeringModeling[ SPI.GPROC ] Engineering Sciences [physics]/Chemical and Process EngineeringOxidation MechanismsSynchrotron BeamNumerical SimulationsCorrosionKineticsHigh-Temperature OxidationRaman SpectrometryXPS[SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering<i>In Situ</i> X-Ray DiffractionAcoustic Emission
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Direct experimental observation of mesoscopic fluorous domains in fluorinated room temperature ionic liquids

2017

Fluorinated room temperature ionic liquids (FRTILs) represent a class of solvent media that are attracting great attention due to their IL-specific properties as well as features stemming from their fluorous nature. Medium-to-long fluorous tails constitute a well-defined apolar moiety in the otherwise polar environment. Similarly to the case of alkyl tails, such chains are expected to result in the formation of self-assembled fluorous domains. So far, however, no direct experimental observation has been made of the existence of such structural heterogeneities on the nm scale. We report here the first experimental evidence of the existence of mesoscopic spatial segregation of fluorinated dom…

General Physics and AstronomyNanotechnology02 engineering and technologyNeutron scattering010402 general chemistryLAYER CAPACITOR APPLICATIONS; PERFLUOROALKYL SIDE-CHAINS; ANGLE NEUTRON-SCATTERING; PARTICLE MESH EWALD; PHYSICOCHEMICAL PROPERTIES; FORCE-FIELD; CATION SYMMETRY; STRUCTURAL-CHARACTERIZATION; AMMONIUM TETRAFLUOROBORATE; MOLECULAR SIMULATION01 natural sciencesionic liquidsionic liquids SANS nanostructuration fluorous domains NMR NOEchemistry.chemical_compoundMolecular dynamicsPhysics and Astronomy (all)nanostructurationMoietyPhysical and Theoretical ChemistryAlkylNOEchemistry.chemical_classificationfluorous domainsMesoscopic physicsSANSNuclear magnetic resonance spectroscopy021001 nanoscience & nanotechnologyNMR0104 chemical sciencesfluorinated ionic liquids neutron scattering x-ray diffraction structurechemistryChemical physicsIonic liquidPolar0210 nano-technology
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Crystal structure of the tetraaquabis(thiocyanato-kappa N)cobalt(II)-caffeine-water (1/2/4) co-crystal

2017

In the structure of the title compound, [Co(NCS)2(H2O)4]·2C8H10N4O2·4H2O, the cobalt metal lies on an inversion centre and is coordinated in a slightly distorted octa­hedral geometry. In the crystal, the complex mol­ecules inter­act with the caffeine mol­ecules through O—H⋯N, O—H⋯O, C–H⋯S hydrogen bonds and π–π inter­actions.

Hydrogen bondingSingle-crystal X-ray diffraction analysischemistry.chemical_elementThio-Crystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCrystallcsh:ChemistryCaffeineGeneral Materials Science[CHIM.COOR]Chemical Sciences/Coordination chemistrybiologyHydrogen bondCrystal structureGeneral ChemistryCondensed Matter Physicsbiology.organism_classification3. Good health0104 chemical sciencesCrystallographyOxygen atomchemistrylcsh:QD1-999TetraCobalt
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