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Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…
In experiments on model membranes, a formation of large domains of different lipid composition is readily observed. However, no such phase separation is observed in the membranes of intact cells. Instead, a structure of small transient…
Liquid crystalline networks (LCNs) are stimuli-responsive materials formed from polymeric chains cross-linked with rod-like mesogenic segments, which, in the nematic phase, align along a non-polar director. A key characteristic of these…
Two-dimensional colloidal suspensions exposed to periodic external fields exhibit a variety of molecular crystalline phases. There two or more colloids assemble at lattice sites of potential minima to build new structural entities, referred…
The phase diagram of the Blume--Capel model on a semi--infinite simple cubic lattice with a (100) free surface is studied in the pair approximation of the cluster variation method. Six main topologies are found, of which two are new, due to…
Morphotropic phase boundaries (MPBs) show substantial piezoelectric and dielectric responses, which have practical applications. The predicted existence of MPB in HfO2-ZrO2 solid solution thin film has provided a new way to increase the…
The deformation and flow of disordered solids, such as metallic glasses and concentrated emulsions, involves swift localized rearrangements of particles that induce a long-range deformation field. To describe these heterogeneous processes,…
We consider a mathematical model for a two-particle system driven by the spatial gradient of a concentration field of chemicals with conservative attractive interactions in one dimension. This setup corresponds to an experimental system…
We present Monte Carlo simulations of a coarse-grained model for Langmuir monolayers of amphiphile molecules on a polar substrate. The molecules are modelled as chains of Lennard-Jones beads, with one slightly larger end bead confined in a…
Molecular machines described in this paper are meant to be such molecular systems that make use of conformational mobility (i.e. hindered rotation around chemical bonds and molecular construction deformations with formation and breakage of…
Using Monte Carlo (MC) computer simulations we explore the self-assembly and ordering behavior of a hybrid, soft magnetic system consisting of small magnetic nano-spheres in a liquid-crystalline (LC) matrix. Inspired by recent experiments…
Molecular process of crystallization from an oriented amorphous state was reproduced by molecular dynamics simulation for a realistic polyethylene model. Initial oriented amorphous state was obtained by uniaxial drawing an isotropic glassy…
We formulate a simple Landau type model describing macroscopic behaviour recently discovered new smectic phases composed of achiral bent-shaped molecules. Films of such smectics exhibit three types of ordering related to dipole…
Previous work has shown that time-reversal symmetric Weyl semimetals with a quadrupolar arrangement of first-order Weyl nodes exhibit a mixed crystalline-electromagnetic response. For systems with higher order Weyl nodes, which are attached…
Past models of stress-strain response under cyclic loading mainly rely on macroscopic equations which consider microstructure evolution indirectly or simply discard microstructure information. Modern materials science, on the other hand,…
Brownian Dynamics is used to study self-assembly in a hybrid system of istotropic particles (IPs), combined with anisotropic building blocks that represent special "designer particles". Those are modeled as spherical patchy particles (PPs)…
Recent experimental discoveries of novel nematic types with polar order, including ferroelectric nematic and splay nematic have brought the resurgence of the interest in polar and modulated phases. One of the most important factors that is…
Metal-organic frameworks (MOFs) are highly interesting and tunable materials. By incorporating spatial defects into their atomic structure, MOFs can be finetuned to exhibit precise chemical functionalities, extending their applicability in…
Supraparticles are coordinated assemblies of discrete nanoscale building blocks into complex and hierarchical colloidal superstructures. Holistic optical responses in such assemblies are not observed in an individual building block or in…
We report on the formation of colloidal complexes resulting from the electrostatic self-assembly of polyelectrolyte-neutral block copolymers and oppositely charged surfactants. The copolymers investigated are asymmetric and characterized by…