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The stability of demixing phase transition in binary mixtures of hard plates (with thickness L and diameter D) and hard spheres (with diameter $\sigma$) is studied by means of Parsons-Lee theory. The isotropic-isotropic demixing, which is…
Binary alloy phases of the noble metals with main group elements are analyzed in relation to body centered cubic structure with orthorhombic and hexagonal distortions. Stability of these distorted phases is considered on the base of the…
Materials with nanoscale phase separation are considered. These materials are formed by a mixture of several phases, so that inside one phase there exist nanosize inclusions of other phases, with random shapes and random spatial locations.…
We present a novel statistical method for the study of stable atomic configurations in breaking nanowires based on the 2D cross-correlation analysis of conductance versus electrode separation traces. Applying this method, we can clearly…
The cores of edge dislocations, edge dislocation dipoles and edge dislocation loops in planar graphene have been studied by means of periodized discrete elasticity models. To build these models, we have found a way to discretize linear…
At the nanometric scale, the synthesis of a random alloy (i.e. without phase segregation, whatever the composition) by chemical synthesis remains a not easy task, even for simple binary type systems. In this context, a unique approach based…
The phase separation behaviors from the single B2 ordered phase into the two separate B2 and L2$_1$ ordered phases in the X-Al-Ti (X: Fe, Co, and Ni) alloys are analyzed using the cluster variation method (CVM) with the interaction energies…
Specialized Monte Carlo methods are nowadays routinely employed, in combination with thermodynamic integration (TI), to locate phase boundaries of classical many-particle systems. This is especially useful for the fluid-solid transition,…
We report the observation of simultaneous quantum degeneracy in a dilute gaseous Bose-Fermi mixture of metastable atoms. Sympathetic cooling of helium-3 (fermion) by helium-4 (boson), both in the lowest triplet state, allows us to produce…
Phase coexistence phenomena have been intensively studied in strongly correlated materials where several ordered states simultaneously occur or compete. Material properties critically depend on external parameters and boundary conditions,…
We study phase separation between coexisting active and passive fluids in three-dimensions, using numerical simulation and experiments. Chaotic flows of the active phase drive giant interfacial deformations, causing the co-existing phases…
We establish the existence of a stable foliation in the vicinity of a traveling front solution for systems of reaction diffusion equations in one space dimension that arise in the study of chemical reactions models and solid fuel…
We resolve issues that have plagued reliable prediction of relative phase stability for solid-solutions and compounds. Due to its commercially important phase diagram, we showcase Al-Li system because historically density-functional theory…
Within a phase field approach which takes the strain-induced elasticity into account, the kinetics of the coherent order-disorder transition is investigated for the specific case of $Al_3 Zr$ alloy. It is shown that a microstructure with…
The addition of enough non-adsorbing polymer to an otherwise stable colloidal suspension gives rise to a variety of phase behavior and kinetic arrest due to the depletion attraction induced between the colloids by the polymers. We report a…
We have used density-functional-theory methods and the ab initio random structure searching (AIRSS) approach to predict stable structures and stoichiometries of mixtures of iron and oxygen at high pressures. Searching was performed for 12…
Simulations show that sliding bilayers of colloidal particles can exhibit a new phase, the ``melt-freeze'' phase, where the layers stochastically alternate between solidlike and liquidlike states. We introduce a mean field phenomenological…
In this work we propose a two-dimensional extension of a previously defined one-dimensional version of a model of counterflowing particles, which considers an adapted Fermi-Dirac distribution to describe the transition probabilities. In…
We study binary mixtures of hard particles, which exclude up to their $k$th nearest neighbors ($k$NN) on the simple cubic lattice and have activities $z_k$. In the first model analyzed, point particles (0NN) are mixed with 1NN ones. The…
The CoCrFeNi alloy is widely accepted as an exemplary stable base for high entropy alloys (HEAs). Although various investigations prove it to be stable solid solution, its phase stability is still suspicious. Here, we identified that the…