Related papers: Step evolution in two-dimensional diblock copolyme…
Nanocomposite materials made of block copolymer and nanoparticles display properties which can be different from the purely polymeric matrix. The resulting material is a crossover of the original properties of the block copolymer and the…
We present a model addressing the orientation transition of symmetric block copolymers such as PS/PMMA on smooth and rough surfaces. The distortion free energy of parallel and perpendicular lamellar phases in contact with a rough solid…
We develop and analyse the first second-order phase-field model to combine melting and dissolution in multi-component flows. This provides a simple and accurate way to simulate challenging phase-change problems in existing codes.…
Homoepitaxial step-flow growth of high-quality $\beta$-Ga$_{2}$O$_{3}$ thin films is essential for the advancement of high-performance Ga$_{2}$O$_{3}$-based devices. In this work, the step-flow growth mechanism of $\beta$-Ga$_{2}$O$_{3}$…
The dynamics of glass formation in monatomic and binary liquids are studied numerically using a microscopic field theory for the evolution of the time-averaged atomic number density. A stochastic framework combining phase field crystal free…
The self-assembly behaviour of a diblock copolymer-diblock copolymer mixture under an oscillating shear field is investigated via cell dynamics simulation. The results indicate that the macrophase separation of the composite system is…
Granular systems confined in vertically vibrated shallow horizontal boxes (quasi two-dimensional geometry) present a liquid to solid phase transition when the frequency of the periodic forcing is increased. An effective model, where grains…
We develop a phase-field model for evaporation from a porous medium by explicitly considering a vapor component together with the liquid and gas phases in the system. The phase-field model consists of the conservation of mass (for phases…
A dynamical model is proposed to describe the coupled decomposition and profile evolution of a free surface film of a binary mixture. An example is a thin film of a polymer blend on a solid substrate undergoing simultaneous phase separation…
We propose a phase-field theory for enriched continua. To generalize classical phase-field models, we derive the phase-field gradient theory based on balances of microforces, microtorques, and mass. We focus on materials where second…
We derive an elegant solution for a two-level system evolving adiabatically under the influence of a driving field with a time-dependent phase, which includes open system effects such as dephasing and spontaneous emission. This solution,…
We study the interplay between surface roughening and phase separation during the growth of binary films. Already in 1+1 dimension, we find a variety of different scaling behaviors depending on how the two phenomena are coupled. In the most…
We derive an expression for the free energy of the blends of block copolymers expressed as a functional of the density distribution of the monomer of each block. The expression is a generalization of the Flory-Huggins-de Gennes theory for…
An electric-field-induced phase transition and pattern formation in a binary dielectric fluid layer are studied using a coarse-grained free energy functional. The electrostatic part of the free energy is a nonlinear functional of the…
Monte Carlo simulations have been used to investigate the dynamic phase behavior of a classical Heisenberg spin system with a bilinear exchange anisotropy in a planar thin film geometry. Studies of the field amplitude, frequency and…
Multiphase field models have emerged as an important computational tool for understanding biological tissue while resolving single-cell properties. While they have successfully reproduced many experimentally observed behaviors of living…
We investigate the effect of chemically patterned surfaces on the morphology of diblock copolymers below the order-disorder transition. Profiles for lamellar phases in contact with one surface, or confined between two surfaces are obtained…
The polymer systems are discussed in the framework of the Landau-Ginzburg model. The model is derived from the mesoscopic Edwards hamiltonian via the conditional partition function. We discuss flexible, semiflexible and rigid polymers. The…
A multiscale scheme combining molecular dynamics (MD) and microscopic phase-field theory is proposed to study the structural phase transformations in solids with inhomogeneous strain field. The approach calculates strain response based on…
We investigate the mechanism of chain exchange in diblock copolymer micelles using two distinct yet complementary simulation techniques. First, enhanced sampling method is combined with coarse-grained molecular dynamics to compute a…