Liquid-liquid-solid transitions (LLST) are known to occur in confined liquids, exist in supercooled liquids and emerge in liquids driven from equilibrium. Molecular dynamics (MD) simulations claim many successes in forecasting the phenomena. The transitions are also studied in the framework of thermodynamics based methods and minimalistic models. In here, the proposed approach is derived in the...

Solid-liquid interfaces are extensively encountered in materials processing and applications. The structure and properties of these interfaces affect solidification, wetting behavior, and crystalline growth mechanisms, including epitaxial growth. The exact structural and chemical nature of these interfaces has been historically difficult to study at high resolution due to the fact that one phas...

The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equilibrium conditions at which the interfacial free energy is ill-defined. Here we draw a connection between the atomistic description of a diffus...

• Effect of perfluoroalkyl chains on the properties and phase equilibria FILs. VLE FILs show need optimal fluorine density to enhance gas absorption. LLE reveal high surfactant behavior in water improved PFCs solubility. SLE uncover formation eutectic mixtures with complex behavior. huge relevance GHGs capturing processes biomedical applications. Fluorinated ionic liquids (FILs) are defined as ...

Solid–Liquid Phase Transitions In article number 2300542, Franklin Liou, Hsin-Zon Tsai, Alex Zettl, Johannes Lischner, Michael Crommie, and co-workers use scanning tunneling microscopy to image a solid–liquid phase transition with sub-nanometer spatial resolution at the surface of graphene field-effect transistor. They electrostatic gating drive reversible transitions between quasi-1D molecular...

The motion of the three-phase line created by a liquid droplet on a flat solid substrate has been extensively studied for more than a century, yet the constitutive relation governing this motion remains unclear. When a liquid droplet is placed in contact with a flat substrate, the system is driven towards equilibrium. The contact angle relaxes from its initial value at the moment of contact, to...

We investigate the equilibrium of a fluid in contact with a solid boundary through a density-functional theory. Depending on the conditions, the fluid can be in one phase, gas or liquid, or two phases, while the wall induces an external field acting on the fluid particles. We first examine the case of a liquid film in contact with the wall. We construct bifurcation diagrams for the film thickne...

A general set of methods is presented for calculating chemical potentials in solid and liquid mixtures using ab initio techniques based on density functional theory ~DFT!. The methods are designed to give an ab initio approach to treating chemical equilibrium between coexisting solid and liquid solutions, and particularly the partitioning ratios of solutes between such solutions. For the liquid...

The nitrocellulose based materials are degraded in a natural way during their storage; the processes of degradation are accelerated when the temperature or the humidity increases. To prevent this decomposition, these materials include in their composition stabilising agents which retain the nitro groups and avoid the autocatalytic degradation of nitrocellulose. The aim of the present work is to...