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Materials Data on Ca3Ga2(FeO5)2 by Materials Project

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

Materials Data on Y4Co13Si2(SbO14)2 (SG:12) by Materials Project

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

Materials Data on V3FeO8 (SG:2) by Materials Project

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

Materials Data on Li5V3P8O29 (SG:1) by Materials Project

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

Materials Data on Al2FeO4 (SG:227) by Materials Project

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

Materials Data on TbKCr2O8 (SG:19) by Materials Project

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

Materials Data on Na2Ni2O5 (SG:1) by Materials Project

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

Materials Data on FeOF (SG:31) by Materials Project

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

Materials Data on Li2TiVO5 (SG:129) by Materials Project

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

Materials Data on Cs4Fe3F10 (SG:64) by Materials Project

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

Materials Data on SrMn5(SO4)6 (SG:147) by Materials Project

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

Materials Data on Na2VPO6 (SG:33) by Materials Project

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

Materials Data on Mg2VBiO6 (SG:63) by Materials Project

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

Materials Data on Zn(Ni2O3)2 (SG:63) by Materials Project

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

Effect of structural heterogeneity on the fracture mechanics parameters of welded joints of A.387 steel

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

Biofilms structural dynamic and reactivity

Romain Briandet、Julien Deschamps2014-01-01HAL (Le Centre pour la Communication Scientifique Directe)

International audience

Diatoms and Algae ResearchBacterial biofilms and quorum sensing