Search results for "Reverse Monte Carlo simulations"

showing 3 items of 3 documents

High-temperature X-ray absorption spectroscopy study of thermochromic copper molybdate

2019

Financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ/2017/5 and SJZ/2018/1 realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. The work was also supported by philanthropist MikroTik and administrated by the University of Latvia Foundation . The experiment at the Elettra synchrotron was performed within the project No. 20150303 .

Materials sciencePolymers and PlasticsAbsorption spectroscopyAnalytical chemistrychemistry.chemical_element02 engineering and technologyMolybdate01 natural sciences7. Clean energychemistry.chemical_compound0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]010302 applied physicsReverse Monte Carlo simulationsX-ray absorption spectroscopyThermochromismExtended X-ray absorption fine structureCuMoO4Metals and AlloysAtmospheric temperature range021001 nanoscience & nanotechnologyCopperXANESXANESElectronic Optical and Magnetic MaterialsEXAFSchemistryMolybdenumCeramics and Composites0210 nano-technologyActa Materialia
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Thermal disorder and correlation effects in anti-perovskite-type copper nitride

2017

This work has been supported by the Latvian National Research Program IMIS2. The EXAFS experiment has been financed from the European Community's Seventh Framework Programme under grant agreement No. 226716 (Project I-20100098 EC). J.T. also gratefully acknowledges support from the National Science Foundation under the DMREF program Grant No. CHE-1534184.

Materials sciencePolymers and Plasticschemistry.chemical_element02 engineering and technologyReverse Monte CarloCrystal structureNitride01 natural scienceschemistry.chemical_compoundCondensed Matter::Materials ScienceRhenium trioxideddc:670Condensed Matter::Superconductivity0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]010306 general physicsAnisotropyPerovskite (structure)Reverse Monte Carlo simulationsExtended X-ray absorption fine structureQuantitative Biology::Neurons and CognitionCu3NLattice dynamicsMetals and Alloys021001 nanoscience & nanotechnologyCopper3. Good healthElectronic Optical and Magnetic MaterialsCrystallographyEXAFSchemistryCeramics and Composites0210 nano-technology
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Advanced approach to the local structure reconstruction and theory validation on the example of the W L 3 -edge extended x-ray absorption fine struct…

2018

The authors gratefully acknowledge the assistance of the ELETTRA XAFS beamline staff members during the EXAFS experiment No 20150303. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission.

Materials sciencechemistry.chemical_elementFOS: Physical sciences02 engineering and technologyEdge (geometry)Tungsten01 natural sciencesLocal structureTungstenCondensed Matter::Materials Science0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]General Materials Science010306 general physicsReverse Monte Carlo simulationsCondensed Matter - Materials ScienceExtended X-ray absorption fine structureMolecular dynamics simulationsMaterials Science (cond-mat.mtrl-sci)021001 nanoscience & nanotechnologyCondensed Matter PhysicsComputer Science ApplicationsComputational physicsEXAFSchemistryMechanics of MaterialsModeling and Simulation0210 nano-technologyModelling and Simulation in Materials Science and Engineering
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