Related papers: A universal chemical potential for sulfur vapours
In this work we present the general phase behavior of short tubelike flexible polymers. The geometric thickness constraint is implemented through the concept of the global radius of curvature. We use sophisticated Monte Carlo sampling…
The recent discovery of superconductivity at 190~K in highly compressed H$_{2}$S is spectacular not only because it sets a record high critical temperature, but because it does so in a material that appears to be, and we argue here that it…
Binary metal sulfides are potential material family for exploring high Tc superconductors under high pressure. In this work, we study the crystal structures, electronic structures and superconducting properties of the Lu-S system in the…
Water vapour is highly subsaturated in much of the Earth's atmosphere. This has important consequences for water vapour feedback, and also for general phenomena such as the runaway greenhouse. In this chapter, we discuss the processes that…
Recently, superhydrides have been computationally identified and subsequently synthesized with a variety of metals at very high pressures. In this work, we evaluate the possibility of synthesizing superhydrides by uniquely combining…
We report a theoretical study of sulphur chemistry, as applied to hot cores, where S-bearing molecular ratios have been previously proposed and used as chemical clocks. As in previous models, we follow the S-bearing molecular composition…
We discovered a novel annealing method for Fe-chalcogenide superconductors. It was found that sulfur annealing deintercalated excess Fe via formation of FeS2. Due to its specifics, sulfur annealing is applicable when preparing…
We study the universal relations and normal-phase thermodynamics of a two-component ultracold Fermi gas with coexisting $s$- and $p$-wave interactions. Due to the orthogonality of two-body wave functions of different scattering channels,…
We interpret hadronic particle abundances produced in S--Au/W/Pb 200 A GeV reactions in terms of the final state hadronic phase space model and determine by a data fit of the chemical hadron freeze-out parameters. Allowing for the flavor…
Capitani and coworkers [1] reported that infrared optical reflectance measurements provided evidence for a superconducting transition in sulfur hydride [2] under 150 GPa pressure, and that the transition is driven by the electron-phonon…
Sulphur is an element which is formed in the alpha-process and is easily measured in the gaseous phase in external galaxies. Since it does not form dust, it is the preferred indicator for alpha-elements, rather than Si or Mg, for which dust…
Free energy calculations of two crystalline phases of the molecular compound S8 were performed via molecular dynamics simulations of these crystals. The elemental sulphur S8 molecule model used in our MD calculations consists of a…
Tin sulfides SnxSy are important class of materials that are actively investigated as novel photovoltaic and water splitting materials. First-principles evolutionary crystal structure search is performed with the goal of constructing the…
Superfluid dark matter postulates that the centers of galaxies contain superfluid condensates. An important quantity regarding these superfluids is their chemical potential $ \mu $. Here, we discuss two issues related to this chemical…
It has been known for a long time that many simple liquids have surprisingly similar structure as quantified, e.g., by the radial distribution function. A much more recent realization is that the dynamics are also very similar for a number…
We study the sulphur chemistry evolution in the Orion KL along the gas and grain phases of the cloud. We investigate the processes that dominate the sulphur chemistry and to determine how physical and chemical parameters, such as the final…
We use first principles calculations to study structural, vibrational and superconducting properties of H$_2$S at pressures $P\ge 200$ GPa. The inclusion of zero point energy leads to two different possible dissociations of H$_2$S, namely…
Recently published Density Functional Theory results from Whaley-Baldwin et. al. [New J. Phys. 22 023020, Feb 2020] using the PBE functional suggest that elemental sulfur does not adopt the simple-cubic (SC) $Pm\bar{3}m$ phase at high…
Quantitative knowledge of sulfur speciation in the fluid phase is key to understanding sulfur degassing from magmas and its transfer along with metals by fluids across the lithosphere. Farsang and Zajacz (1) recently reported new sulfur…
We report calculations of the dissociative adsorption of H_2 at Pd (100) covered with 1/4 monolayer of sulfur using quantum dynamics as well as molecular dynamics and taking all six degrees of freedom of the two H atoms fully into account.…