Quasi-harmonic computations of thermodynamic parameters of olivines at high-pressure and high-temperature. A comparison with experiment data
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Nanowire (NW) crystal growth via the vapour-liquid-solid mechanism is a complex dynamic process involving interactions between many atoms of various thermodynamic states. With increasing speed over the last few decades many works have reported on various a ...
The present investigation is concerned with wave propagation in micropolar thermoelastic solid half space with distinct conductive and thermodynamic temperatures. Reflection of plane waves incident obliquely at the free surface of micropolar generalized th ...
When adsorbing guest molecules, the porous metal-organic framework MIL-53(Cr) may vary its cell parameters drastically while retaining its crystallinity. A first approach to the thermodynamic analysis of this "framework breathing" consists of comparing the ...
Supercooled liquids are characterized by their fragility: The slowing down of the dynamics under cooling is more sudden and the jump of specific heat at the glass transition is generally larger in fragile liquids than in strong ones. Despite the importance ...
The identification of a suitable combined electricity production cycle depends on the heating and cooling requirements of the respective industrial process. Due to the large number of options an exhaustive enumeration of all the possibilities is not realis ...
Iodine added to iodide-based ionic liquids leads to dramatic changes of their physical properties which may have implications for technological applications. Here we study the phase diagram of 1-methyl 3-propylimidazolium iodide, the temperature versus iod ...
A first-principles model of the electrochemical double layer is applied to study surface energies and surface coverage under realistic electrochemical conditions and to determine the equilibrium shape of metal nanoparticles as a function of applied potenti ...
The enthalpies of formation of the intermetallic compounds in the Ge-Ni binary system have been determined by calorimetric measurement and first-principles calculations. Based on the results obtained and information available in the literature, the phase d ...
The ability of particles to flow with very low resistance is characteristic of superfluid and superconducting states, leading to their discovery in the past century. Although measuring the particle flow in liquid helium or superconducting materials is esse ...
We describe a low-temperature thermodynamic model for dynamic nuclear polarization (DNP) via continuous-wave partial saturation of electron spin resonance (ESR) lines that are both homogeneously and inhomogeneously broadened. It is a variant of a reasoning ...