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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
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
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
In view of active rheology control of cementitious materials, nano-Fe{sub 3}O{sub 4} can be added as responsive particles. Following the concept of magnetorheological fluids, it is assumed that magnetic nanoparticles will form chains or clusters in cementitious paste following magnetic field lines. A quantitative experimental validation of this assumption is presented herein. The clustering of nano-Fe{sub 3}O{sub 4} particles under magnetic fields is studied by mapping iron (Fe) element distribution in cementitious paste using energy dispersive X-ray spectroscopy. By means of image analysis, the Fe-element patterns are quantified by the deviation of Fe-elements in a unit area from the mean value expected in case of a uniform distribution, as expressed by coefficient of variation (COV). The magneto-rheological responses of cementitious pastes are evaluated using small amplitude oscillatory shear technique. Results show that the magneto-rheological effect exhibits a linear relationship with the relative change of COV, providing a quantitative validation of magnetic clustering in cementitious paste.
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The spectral properties (0.35-2.20 microns) of submicron powders of hematite, maghemite, magnetite, goethite, and lepidocrocite are determined. Other physicochemical data are obtained for the powders in order to determine if deviations from stoichiometry occur due to their small particle size, to determine their state of chemical and phase purity, and to determine the physical characteristics of the individual powders. The physicochemical data obtained include mean particle diameter, discrete particle shape, chemical composition, crystallographic phase, magnetic parameters, and Moessbauer parameters. The positions of the spectral features for the hematite, maghemite, and magnetite powders are independent of temperature over the interval between about +20 and -110 C. For the goethite and lepidocrocite powders, a small shift of about 0.02 micron to shorter wavelengths is observed for some of the features after cooling to about -110 C. The spectral properties of the iron oxides and oxyhydroxides are important not only for understanding the basic physics and chemistry of the compounds but also for applications such as the remote sensing of the earth and Mars.
Increasing interest in environmental geochemistry has led to the recognition that crystals with sizes in the nanometer range (e.g., colloids and nanoscale precipitates) and poorly crystalline compounds (e.g., ferrihydrites) may comprise the majority of reactive mineral surface area near the Earth s surface. When the diameters of individual particles are in the range of 100 nm or less, the surface energy contribution to the free energy modifies phase stability. This results in stabilization of polymorphs not normally encountered in the macrocrystal domain. These phases potentially have very different surface-site geometries, adsorptive properties, and growth mechanisms, and exhibit size-dependent kinetic behavior. Thus nanophases dramatically modify the physical and chemical properties of soils and sediments. In a more general sense, the characteristics of nanocrystals are of intense technological interest because small particle size confers novel chemical, optical, and electronic properties. Thus, nanocrystalline materials are finding applications as catalytic substrates, gas phase separation materials, and even more importantly in the field of medicine. This is an opportune time for mineral physicists working on nanocrystalline materials to develop collaborative efforts with materials scientists, chemists, and others working on nanophase materials of technological interest (e.g., for magnetic memories). Our objective in this study was to synthesize submicron (<200 nm) magnetite and to study their thermal and particle size properties.
We have successfully fabricated atom probe samples of a metamorphic magnetite and performed an analysis of one of these samples using a local electrode atom probe (LEAP).
The utilization of microwave-assisted gasification for biomass/plastic is a promising route toward clean energy production, contributing to a reduction in carbon footprint. This method facilitates the conversion of biomass into syngas with enhanced hydrogen (H2) yield, surpassing conventional heating approaches. However, the gasification of biochar, a byproduct resulting from the initial rapid pyrolysis of biomass, appears as a rate-determining step in biomass gasification. To ensure high conversion efficiency, particularly in pilot or larger scales, the maintenance of high biochar reactivity is essential, which can be achieved by introducing catalysts to minimize biochar formation. Furthermore, given the susceptibility of biochar to microwave heating, gaining a comprehensive understanding of its behavior in the presence of microwave-active catalysts under microwave conditions is crucial to obtain valuable insights into the underlying mechanisms, thereby improving overall biomass gasification efficiency. In the previous study, magnetite (Fe3O4) was selected for microwave-assisted gasification for biomass/plastic due to its dual role as a catalyst and microwave absorber and demonstrated considerably enhanced hydrogen production. Herein, Fe3O4 is rationally modified with metal promoters and their synergistic effect toward biochar gasification performance is investigated. The data shows that metal promoted Fe3O4 shows a higher syngas yield than that of pristine Fe3O4 in biochar.
Samples of all eighteen of the known C2 chondrites were analyzed thermomagnetically. For eleven of these, initial Fe3O4 content is low(generally 1%) and the J sub s-T curves are irreversible. The heating curves show variable and erratic behavior, whereas the cooling curves appear to be that of Fe3O4. The saturation moment after cooling is greater (up to 10 times larger) than it is initially. This behavior is interpreted to be the result of the production of magnetite from a thermally unstable phase--apparently FeS. Four of the remaining 7 C2 chondrites contain Fe3O4 as the only significant magnetic phase: initial magnetite contents range from 4 to 13 percent. The remaining three C2 chondrites contain iron or nickel-iron in addition to Fe3O4. These seven C2 chondrites show little evidence of the breakdown of a thermally unstable phase.
Samples of all eighteen known C2 chondrites have been analyzed thermomagnetically. For eleven of these, initial Fe3O4 content is low (generally less than 1%) and the saturation magnetization-vs.-temperature curves are irreversible. The heating curves show variable and erratic behavior, whereas the cooling curves are similar to that of Fe3O4. The saturation moment after cooling is greater (up to 10 times) than it is initially. This behavior is attributed to the production of magnetite from a thermally unstable phase - apparently FeS. Four of the remaining seven C2 chondrites contain Fe3O4 as the only significant magnetic phase; initial magnetite contents range from 4 to 13%. The remaining three C2 chondrites contain iron or nickel-iron in addition to Fe3O4. These seven C2 chondrites show little evidence of the breakdown of a thermally unstable phase.
The trapping of meteoritic noble gases by solids is simulated through the synthesis of 18 Fe3O4 samples at 350-720 K in a noble gas atmosphere, by means of the reactions: (1) 3Fe + 4H2O yields Fe3O4 + 4H2, using Ne, Ar, Kr and Xe; and (2) 3Fe + 4CO yields Fe3O4 + 4C + carbides, using Xe. Etching experiments suggest an analogy with 'Phase Q' in meteorites. Adsorbed atmospheric gases are present in all samples, and dominate whenever the noble gas partial pressure in the atmosphere is greater than that in the synthesis. While many of the results of Lancet and Anders (1973) appear to have been dominated by such an atmospheric component, others are suspect. When the doubtful samples of Lancet and Anders are corrected or eliminated, the fractionation pattern no longer peaks at Ar, but rather, as in the present sample, rises monotonically from Ne to Xe. No evidence is found for the earlier study's claim of a strong temperature dependence.
Martian meteorite ALH84001 preserves evidence of interaction with aqueous fluids while on Mars in the form of microscopic carbonate disks which are believed to have precipitated approximately 3.9 Ga ago at beginning of the Noachian epoch. Intimately associated within and throughout these carbonate disks are nanocrystal magnetites (Fe3O4) with unusual chemical and physical properties, whose origins have become the source of considerable debate. One group of hypotheses argues that these Fe3O4 are the product of partial thermal decomposition of the host carbonate. Alternatively, the origins of Fe3O4 and carbonate may be unrelated; that is, from the perspective of the carbonate the magnetite is allochthonous. We have sought to resolve between these hypotheses through the detailed characterized of the compositional and structural relationships of the carbonate disks and associated magnetites with the orthopyroxene matrix in which they are embedded. We focus this discussion on the composition of ALH84001 magnetites and then compare these observations with those from experimental thermal decomposition studies of sideritic carbonates under a range of plausible geological heating scenarios.