Decomposition of copper concentrates at high-temperatures: An efficient method to remove volatile impurities
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We have performed density-functional theory (DFT) calculations of phase stability, formation energies of radiation defects in tungsten-based binaries W-Ta and W-V. These alloys are candidate for DEMO divertor applications because of their high melting poin ...
CuO have potential applications in various fields, such as gas sensors, solar energy and catalysis. With the aim of trying to obtain CuO with a high specific surface area, an oxalate precipitation route followed by thermal decomposition was studied. Four d ...
Tungsten alloys are candidate materials for DEMO divertor applications because of their high melting point and low sputtering yield. We explore, using ab initio methods, the phase stability trend of W-Ta and W-V alloys. The available experimental phase dia ...
Multiple charge density wave (CDW) phases in 2H-TaSe2 are investigated by high-resolution synchrotron x-ray diffraction. In a narrow temperature range immediately above the commensurate CDW transition, we observe a multi-q superstructure with coexisting co ...
We study the phase diagram of an effective ion model of fully ionized hydrogen at ultra-high pressure. We assume that the protons interact with a screened Coulomb potential derived from a static linear response theory. This model accurately reproduces the ...
Strain response of polycrystalline barium titanate (BaTiO3) was investigated under high unipolar electric field (0 to 4 kV/mm) and compressive stress (0 to 400 MPa) in the temperature range from 25 to 160 degrees C. In the vicinity of the Curie point (T-C) ...
When a tetrathiofulvalene (TTF) crystal is placed onto a 7,7,8,8‐tetracyanoquinodimethane (TCNQ) crystal at room temperature, a highly conducting layer is formed. In this study, we explore to what degree this is due to physical contact or transfer by subli ...
A direct multiscale method coupling molecular dynamics to finite element simulations is introduced to study the contact area evolution of rough surfaces under normal loading. First, a description of the difficulties due to using the bridging domain method ...
The dynamics and bonding of the complex hydrides LiBH4 and LiAlH4 have been investigated by vibrational spectroscopy. The combination of infrared, Raman, and inelastic neutron scattering (INS) spectroscopies on hydrided and deuterided samples reveals a com ...
As previously demonstrated by Thurber and Tycko, the peak position of Br-79 in potassium bromide (KBr) allows one to determine the temperature of a spinning sample. We propose to adapt the original design by using a compact KBr tablet placed at the bottom ...