None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Ca3Ga2(FeO5)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ca–O bond distances ranging from 2.23–2.55 Å. In the second Ca site, Ca is bonded…
X-ray Diffraction in Crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Crystal Structures and PropertiesHigh-pressure geophysics and materialsX-ray Diffraction in Crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Electron and X-Ray Spectroscopy TechniquesCatalysis and Oxidation ReactionsTransition Metal Oxide Nanomaterials
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Advanced ceramic materials synthesisAdvancements in Battery MaterialsRecycling and Waste Management Techniques
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in Crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Pigment Synthesis and PropertiesX-ray Diffraction in Crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Thermal Expansion and Ionic ConductivityNuclear materials and radiation effectsX-ray Diffraction in Crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in CrystallographyNuclear Physics and ApplicationsMetallurgical Processes and Thermodynamics
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Advanced ceramic materials synthesis
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Inorganic Fluorides and Related CompoundsX-ray Diffraction in CrystallographyMicrostructure and Mechanical Properties of Steels
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Solid-state spectroscopy and crystallographyX-ray Diffraction in CrystallographyMagnetic and transport properties of perovskites and related materials
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Solid-state spectroscopy and crystallography
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Microwave Dielectric Ceramics SynthesisNuclear materials and radiation effectsAdvanced ceramic materials synthesis
None Available2014-01-01OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
X-ray Diffraction in CrystallographyAdvanced ceramic materials synthesis
Abdelkrim El‐Ghayoury2014-01-01HAL (Le Centre pour la Communication Scientifique Directe)
International audience
Organometallic Compounds Synthesis and CharacterizationMagnetism in coordination complexesOrganic and Molecular Conductors Research
Meri Burzić、Prokić-Cvetković Radica、Popović Olivera 等 4 位作者2014-01-01DOAJ (DOAJ: Directory of Open Access Journals)
For better understanding of the phenomenon of crack initiation and propagation in welded joints of A-387 Gr. 11 steel designed for high-temperature and high-pressure applications, it is necessary to determine the effect of the heterogeneity of microstructural and mechanical properties on fracture toughness and fatigue…
Fatigue and fracture mechanicsEngineering Diagnostics and ReliabilityMaterial Properties and Failure Mechanisms
Pierre Dorlet、Patrick Bertrand2014-01-01HAL (Le Centre pour la Communication Scientifique Directe)
International audience
Graphite, nuclear technology, radiation studies
Maurizio Peruzzini、Luca Gonsalvi、Antonella Guerriero 等 6 位作者2014-01-01HAL (Le Centre pour la Communication Scientifique Directe)
International audience
Vanadium and Halogenation ChemistryPolyoxometalates: Synthesis and ApplicationsChemical Synthesis and Reactions
Romain Briandet、Julien Deschamps2014-01-01HAL (Le Centre pour la Communication Scientifique Directe)
International audience
Diatoms and Algae ResearchBacterial biofilms and quorum sensing
O. Mourey、Camille Petit-Étienne、G. Cunge 等 9 位作者2014-01-01HAL (Le Centre pour la Communication Scientifique Directe)
International audience
Plasma Diagnostics and ApplicationsDiamond and Carbon-based Materials ResearchLaser-induced spectroscopy and plasma