Constant-pressure nested sampling with atomistic dynamics
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This thesis is devoted to the study of the effect of disorder on low-dimensional weakly interacting Bose gases. In particular, the disorder triggers a quantum phase transition in one dimension at zero temperature that is investigated here through the study ...
Liquid-phase sintering (LPS) is an industrial process used to consolidate materials composed of two different kinds of metallic and/or ceramic powders. At constant temperature, the amount of the present liquid-phase is constant. However, the shape of parti ...
Many of the complex physical processes relevant for compositional multi-phase flow in porous media are well understood at the pore-scale level. In order to study CO2 storage in sub-surface formations, however, it is not feasible to perform simulations at t ...
Liquid–liquid phase separation occurs in young mammalian eye lenses and in concentrated solutions of isolated eye lens proteins, and has been linked to some forms of cataract. Here we study theoretically the protein compositions and cloud temperatures of t ...
We study the phase behaviour of symmetric binary mixtures of hard core Yukawa (HCY) particles via thermodynamic perturbation theory (TPT). We show that all the topologies of phase diagram reported for the symmetric binary mixtures are correctly reproduced ...
Résumé : Les procédés agroalimentaires sont des procédés industriels consommateurs de grandes quantités d’énergie, aussi bien de refroidissement que de chauffage. Il est donc intéressant d’optimiser cette consommation. L’analyse pinch, méthode systématique ...
The low-temperature magnetic phase diagram of the multiferroic system FeTe2O5Br down to 300 mK and up to 9 T is presented. Short-range magnetic correlations within the crystal layers start to develop already at similar to 50 K, i.e., far above T-N1 similar ...
Results of a theoretical study on the properties of Ir4 clusters in the gas–phase and on oxide surfaces are presented. The work is based on density functional theory (DFT) within the generalized gradient approximation (GGA) and ultrasoft pseudopotentials. ...
Atomic ordering and stress-induced ordering (Zener relaxation) were studied in a series of 18-carat (75 wt%) yellow gold alloys (Au-Cu-Ag) by means of isothermal mechanical spectroscopy with a forced torsion pendulum at low frequencies. In the high-tempera ...
The thermal decomposition of three synthetic copper sulfides (chalcocite (Cu2S), chalcopyrite (CuFeS2), and enargite (Cu3AsS4)) and two commercial copper concentrates has been studied on a thermobalance (T = 1173-1773 K) and an imaging furnace (T approxima ...
