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A phenomenological mean-field theory is used to investigate the properties of solvent-diluted di-block copolymers (BCP), in which the two BCP components (A and B) form a variety of phases that are diluted by a solvent (S). Using this…
Equilibration of polymer melts containing highly entangled long polymer chains in confinement or with free surfaces is a challenge for computer simulations. We approach this problem by first studying polymer melts based on the soft-sphere…
Polymer mixtures fractionate between phases depending on their molecular weight. Consequently, by varying solvent conditions, a polydisperse polymer sample can be separated between phases so as to achieve a particular molecular weight…
Motivated by observations of heterogeneous domain structure on the surface of cells, we consider a minimal model to describe the dynamics of phase separation on the surface of a spherical particle. Finite-size effects on the curved particle…
In this work, we study a system of coupled Cahn-Hilliard equations describing the phase separation of a copolymer and a homopolymer blend. The numerical methods we propose are based on suitable combinations of existing schemes for the…
Given the wide range of length scales, the analysis of polymer systems often requires coarse-graining, for which various levels of description may be possible depending on the phenomenon under consideration. Here, we provide a super-coarse…
Porous gels -- gels with solvent-filled pores that are much larger than their mesh size -- are widely used in engineering and biomedical applications due to their tunable mechanics, high water content, and selective permeability. Among…
We propose an exactly solvable self-consistent kinetic model of polymerization-induced phase separation (PIPS) via spinodal decomposition. Using modified Cahn-Hilliard and Glotzer-Coniglio theories for early and late stages of spinodal…
We use a recently developed lattice model to study the percolation of particles of different sizes and shapes in the presence of a polymer matrix. The polymer is modeled as an infinitely long semiflexible chain. We study the effects of the…
Although there are theoretical predictions [\textit{Eur.~Phys.~J.~E} \textbf{41} (2018) 110] for the rich phase behaviour of colloidal cubes mixed with non-adsorbing polymers, a thorough verification of this phase behaviour is still…
Blends of polymer and C$_{60}$-derived molecules are in the spotlight in recent years for application in organic photovoltaics, forming what is known as bulk-heterojunction active layers. The character of the heterojunction is determinant,…
Living cells are characterized by the micrometric confinement of various macromolecules at high concentrations. Using droplets containing binary polymer blends as artificial cells, we previously showed that cell-sized confinement causes…
A nonequilibrium molecular dynamics computer simulation on microsegregated solutions of symmetrical diblock copolymers is reported. As the polymer concentration increases, the system undergoes phase transitions in the following order: body…
By means of extensive replica-exchange simulations of generic coarse-grained models for helical polymers, we systematically investigate the structural transitions into all possible helical phases for flexible and semiflexible elastic…
We report new patterns, consisting of coexistence of sub-harmonic/harmonic and asynchronous states [for example, a granular gas co-existing with (i) bouncing bed, (ii) undulatory subharmonic waves and (iii) Leidenfrost-like state], in…
Polymer-derived ceramics combine the thermal stability of ceramics with the versatile properties of carbon domains, but modeling their atomic-scale evolution during processing remains elusive due to the limitations of traditional…
Motivated by recent experimental and theoretical work on the control of phase separation by (electro-)autocatalytic reactions, we analyze pattern formation in externally driven phase separating systems described by a generalization of the…
We present the results of an experimental study of patterned segregation in a horizontally shaken shallow layer of a binary mixture of dry particles. An order parameter for the segregated structures is defined and the effect of the…
We study both experimentally and theoretically the self-assembly of binary block copolymers in dilute solution, where self-assembly is triggered by changing the solvent from the common good solvent THF to the selective solvent water, and…
Polymer syntactic foams are transforming materials that will shape the future of next-generation aerospace and marine structures. When manufactured using traditional processes, like compression molding, syntactic foams consist of a solid…