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The phase separation processes are typically modeled by Cahn-Hilliard equations. This equation was originally introduced to model phase separation in binary alloys, where phase stands for concentration of different components in alloy. When…

Numerical Analysis · Computer Science 2016-01-14 Pawan Kumar

Lithium intercalated anatase used in Li-ion batteries has some special features: coexistence of Li-rich and Li-poor phases as well as two possible positions for Li ions in the oxygen tetrahedron. A theoretical description of the compound…

Materials Science · Physics 2009-07-06 O. V. Velychko , I. V. Stasyuk

In this paper, the mathematical properties and numerical discretizations of multiphase models that simulate the phase separation of an $N$-component mixture are studied. For the general choice of phase variables, the unisolvent property of…

Mathematical Physics · Physics 2017-05-24 Shuonan Wu , Jinchao Xu

Colloid-polymer mixtures are an archetype for modeling phase transition processes, as they a exhibit low-density gas phase, high-density crystalline phase and an intervening liquid phase. While their equilibrium behavior has been studied…

Soft Condensed Matter · Physics 2024-12-18 Lauren Barnes , Boris Khusid , Lou Kondic , William V. Meyer , Anand U. Oza

Suspensions of purely repulsive but self-propelled Brownian particles might undergo phase separation, a phenomenon that strongly resembles the phase separation of passive particles with attractions. Here we employ computer simulations to…

Statistical Mechanics · Physics 2016-08-05 David Richard , Hartmut Löwen , Thomas Speck

A density functional theory for a macroion suspension is examined, where the excess free energy corresponds to the macroion self energy arising from the polarisation of the supporting electrolyte solution. This is treated within a…

Soft Condensed Matter · Physics 2007-05-23 Patrick B. Warren

Constitutive laws underlie most physical processes in nature. However, learning such equations in heterogeneous solids (e.g., due to phase separation) is challenging. One such relationship is between composition and eigenstrain, which…

In this work, we analytically investigate a multi-component system for describing phase separation and damage processes in solids. The model consists of a parabolic diffusion equation of fourth order for the concentration coupled with an…

Analysis of PDEs · Mathematics 2013-12-09 Elena Bonetti , Christian Heinemann , Christiane Kraus , Antonio Segatti

The influence of an external field acting differently on the two constituents of a binary colloidal mixture performing Brownian dynamics is investigated by computer simulations and a simple theory. In our model, one half of the particles…

Soft Condensed Matter · Physics 2009-11-07 J. Dzubiella , H. Loewen

Phase separation in charged systems may involve the replacement of critical points by microphase separated states, or charge-density-wave states. A density functional theory for highly charged colloids at low ionic strength is developed to…

Soft Condensed Matter · Physics 2007-05-23 Patrick B. Warren

Fluid mixtures, such as the cellular cytoplasm and synthetic DNA nanostars, can spontaneously compartmentalize into many coexisting phases through liquid-liquid phase separation. Despite the diversity of fluid structures that emerge from…

Fluid Dynamics · Physics 2026-03-05 Michael Rennick , Xitong Zhang , Halim Kusumaatmaja

Classical theories of chemical kinetics assume independent reactions in dilute solutions, whose rates are determined by mean concentrations. In condensed matter, strong interactions alter chemical activities and create inhomogeneities that…

Materials Science · Physics 2013-04-17 Martin Z. Bazant

The influence of immobile filler particles (spheres, fibers, platelets) on polymer blend phase separation is investigated computationally using a generalization of the Cahn-Hilliard-Cook (CHC) model. Simulation shows that the selective…

Statistical Mechanics · Physics 2007-05-23 Benjamin P. Lee , Jack F. Douglas , Sharon C. Glotzer

Implicit-Explicit methods have been widely used for the efficient numerical simulation of phase field problems such as the Cahn-Hilliard equation or thin film type equations. Due to the lack of maximum principle and stiffness caused by the…

Analysis of PDEs · Mathematics 2020-08-11 Dong Li , Tao Tang

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.…

Mesoscale and Nanoscale Physics · Physics 2014-03-31 V. I. Yukalov , E. P. Yukalova

We study an alloy system where short-ranged, thermally-driven diffusion competes with externally imposed, finite-ranged, athermal atomic exchanges, as is the case in alloys under irradiation. Using a Cahn-Hilliard-type approach, we show…

Materials Science · Physics 2007-05-23 Raul A. Enrique , Pascal Bellon

Thermodynamic bulk phase diagrams have become the roadmap used by researchers to identify alloy compositions and process conditions that result in novel materials with tailored microstructures. Recent experimental studies show that changes…

Materials Science · Physics 2023-03-15 A. Tehranchi , S. Zhang , A. Zendegani , C. Scheu , T. Hickel , J. Neugebauer

In a companion paper, we put forth a thermodynamic model for complex formation via a chemical reaction involving multiple macromolecular species, which may subsequently undergo liquid-liquid phase separation and a further transition into a…

Biological Physics · Physics 2024-07-26 Ruoyao Zhang , Sheng Mao , Mikko P. Haataja

Living and engineered systems rely on the stable coexistence of two interspersed liquid phases. Yet surface tension drives their complete separation. Here we show that stable droplets of uniform and tuneable size can be produced through…

Catalyst particles or complexes suspended in liquid films can trigger chemical reactions leading to inhomogeneous concentrations of reactants and products in the film. We demonstrate that the sensitivity of the liquid film's gas-liquid…

Soft Condensed Matter · Physics 2024-02-23 Tilman Richter , Paolo Malgaretti , Thomas M. Koller , Jens Harting