相关论文: Generalized estimates for the density of oxide sca…
The data of different authors on the thermal conductivity of wustite Fe1-xO, magnetite F3O4, hematite Fe2O3 and pure iron are systematized. The generalized values are described by piecewise smooth functions containing as varying parameters…
The thermophysical properties of oxide scale, in the general case, are affected by the variation of the temperature of phase transitions (either magnetic or polymorphic) in its components due to impurities, lattice defects, grain sizes,…
The known data on the heat capacity of magnetite (Fe3O4), hematite (Fe2O3) and iron (Fe) at different temperatures are approximated by formulas containing phase transition temperatures as varying parameters. This allows to take into account…
The oxidation of pure W and the sublimation of W oxide have been investigated to assess their impact on the lifecycle of a fusion power plant. Pure W has been oxidised at temperatures between 400 and 1050C and for durations ranging between…
Iron oxides and oxyhydroxides are challenging to model computationally as competing phases may differ in formation energies by only several kJ/mol, they undergo magnetization transitions with temperature, their structures may contain…
We develop a technique for predicting the Curie temperature of magnetic materials using density functional theory calculations suitable to include in high-throughput frameworks. We apply four different models, including physically relevant…
We combine two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, to determine the equation of state of magnesium oxide in the regime of warm dense matter, with…
Materials with higher operating temperatures than today's state of the art can improve system performance in several applications and enable new technologies. Under most scenarios, a protective oxide scale with high melting temperatures and…
Iron oxide nano particles with nominal Fe2O3 stoichiometry were synthesized by a wet, soft chemical method with the heat treatment temperatures from 250{\deg}C to 900{\deg}C in air. The variation in the structural properties of the nano…
The oxidation of the Pd(100) surface at oxygen pressures in the 10^-6 to 10^3 mbar range and temperatures up to 1000 K has been studied in-situ by surface x-ray diffraction (SXRD). The results provide direct structural information on the…
The impedance behavior of pre-oxidized iron in liquid lead-bismuth eutectic (LBE) at 200 oC is studied using electrochemical impedance spectroscopy. The structures and resistance of oxide grown on iron oxidized in air at different…
Copper oxide thin films are deposited on quartz substrates by DC magnetron sputtering and the effect of deposition temperature on their optoelectronic properties is examined in detail. Scanning Electron Microscopy (SEM), X-ray diffraction…
We present HST/STIS long-slit spectroscopy of NGC 1976. Our goal is to measure the intrinsic line ratio [O III] 4364/5008 and thereby evaluate the electron temperature (T_e) and the fractional mean-square T_e variation (t_A^2) across the…
Lattice dynamics and molecular dynamics studies of the oxides UO2 and Li2O in their normal as well as superionic phase are reported. Lattice dynamics calculations have been carried out using a shell model in the quasiharmonic approximation.…
We find that clouds of optically-thin, pressure-confined gas are prone to fragmentation as they cool below $\sim10^6$ K. This fragmentation follows the lengthscale $\sim{c}_{\text{s}}\,t_{\text{cool}}$, ultimately reaching very small scales…
Using finite-temperature phonon calculations and machine-learning methods, we calculate the mechanical stability of about 400 semiconducting oxides and fluorides with cubic perovskite structures at 0 K, 300 K and 1000 K. We find 92…
The phase diagram of oxygen is investigated for pressures from 50 to 130~GPa and temperatures up 1200 K using first principles theory. A metallic molecular structure with the $P6_3/mmc$ symmetry ($\eta^{'}$ phase) is determined to be…
Using the APEX-12m telescope, continuum maps at 350~$\mu$m of eight gas-dust clouds from the southern hemisphere are obtained. Clouds are associated with the regions of massive star and star cluster formation and have dense cores. Core…
The enthalpies of dissolution of metastable rock salt and thermodynamically stable wurtzite polymorphs of zinc oxide in aqueous H2SO4 have been measured in direct calorimetric experiments at 303 K and 0.1 MPa and the obtained results…
Lattice parameter of metastable high-pressure phase of zinc oxide, rock-salt ZnO was measured in the 10-300 K temperature range using synchrotron X-ray powder diffraction. No phase transition was observed down to 10 K. The lattice parameter…