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We propose a predictive Density Functional Theory (DFT) for the calculation of solvation free energies. Our approach is based on a Helmholtz free-energy functional that is consistent with the perturbed-chain SAFT (PC-SAFT) equation of…
We introduce a mesoscale technique for simulating the structure and rheology of block copolymer melts and blends in hydrodynamic flows. The technique couples dynamic self consistent field theory (DSCFT) with continuum hydrodynamics and flow…
A three-dimensional, volume-of-fluid (VOF) based CFD model is presented to investigate droplet formation in a microfluidic T-junction. Genesis of Newtonian droplets in non-Newtonian liquid is numerically studied and characterized in three…
We present a hybrid Volume-of-Fluid (VoF) Phase-Field method for general soluble surfactant-laden interfacial flows. The scheme retains the VoF method for interface tracking and momentum solution, while a diffused Phase-Field serves as a…
Using scaled-particle theory for binary mixtures of two-dimensional hard particles with rotational freedom, we analyse the stability of nematic phases and the demixing phase behaviour of a variety of mixtures, focussing on cases where at…
We present a new framework for studying conformal field theories deformed by one or more relevant operators. The original CFT is described in infinite volume using a basis of states with definite momentum, $P$, and conformal Casimir,…
Experimental and modeling/simulation studies of phase equilibrium and growth morphologies of novel polymer-dispersed liquid crystal (PDLC) mixtures of PS (polystyrene) and liquid crystals that exhibit a direct isotropic/smectic-A (lamellar)…
We study the dissipative dynamics of a periodically driven inhomogeneous critical lattice model in one dimension. The closed system dynamics starting from pure initial states is well-described by a driven Conformal Field Theory (CFT), which…
We investigate elastic, inelastic, and coalescent collisions between two-dimensional flat-top solitons supported by the cubic-quintic nonlinear Schr\"odinger equation. Numerical simulations reveal distinct collision regimes ranging from…
The thermal and phase properties of a multifragmentation model which uses clusters as degrees of freedom, are explored as a function of isospin. A good qualitative agreement is found with the phase diagram of asymmetric nuclear matter as…
In many statistical multifragmentation models the volume available to the $N$ nonoverlapping fragments forming a given partition is a basic ingredient serving to the simplification of the density of states formula. One therefore needs…
We present an exactly solvable non-linear elastic model of a volume collapse transition in an isotropic solid. Integrity of the lattice through the transition leads to an infinite-range density-density interaction, which drives classical…
Motivated by the intriguing phase behavior of charged colloidal platelets, we investigate the structure and dynamics of charged repulsive disks by means of Monte-Carlo simulations. The electrostatic interactions are taken into account…
The role of metastable liquid phases in vapor-crystal nucleation is studied using Density Functional Theory(DFT). The model gives a semi-quantitatively accurate description of both the vapor-liquid-solid phase diagram for both simple fluids…
We investigate the long-range statistical correlations, whereby discuss the nature of the undermining interacting/ noninteracting domains and associated phase transitions under variations of the quark mass and the mass scale that…
We derive an analytic expression for the phase of a quantum vortex in a dipolar Bose-Einstein condensate, capturing anisotropic effects from long-range dipole-dipole interactions. This solution provides a foundation for a dipolar point…
In this work, a phase-field model is developed for the dendritic growth with gas bubbles in the solidification of binary alloys. In this model, a total free energy for the complex gas-liquid-dendrite system is proposed through considering…
Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…
Fully Developed Turbulence (FDT) is a theoretical asymptotic phenomenon which can only be approximated experimentally or computationally, so its defining characteristics are hypothetical. It is considered to be a chaotic stationary flow…
We study the impact of effective interactions onto relationally evolving GFT condensates based on real-valued fields. In a first step we show that a free condensate configuration in an isotropic restriction settles dynamically into a…