Related papers: Phase-Boundaries near Critical End points: Applica…
We investigate the phase behaviour of random copolymers melts via large scale Monte Carlo simulations. We observe macrophase separation into A and B--rich phases as predicted by mean field theory only for systems with a very large…
We consider disordered models of pinning of directed polymers on a defect line, including (1+1)-dimensional interface wetting models, disordered Poland--Scheraga models of DNA denaturation and other (1+d)-dimensional polymers in interaction…
Hybrid molecular dynamics/Monte Carlo simulations used to study melts of unentangled, thermoreversibly associating supramolecular polymers. In this first of a series of papers, we describe and validate a model that is effective in…
We use a standard bead-spring model and molecular dynamics simulations to study the static properties of symmetric linear multiblock copolymer chains and their blocks under poor solvent conditions in a dilute solution from the regime close…
Monte Carlo simulations in the grand canonical ensemble were used to obtain critical parameters and conditions leading to microphase separation for block copolymers with solvophilic and solvophobic segments. Solvent selectivity was…
We provide an introductory account of a tricritical phase diagram, in the setting of a mean-field random walk model of a polymer density transition, and clarify the nature of the density transition in this context. We consider a…
We model a melt of monodisperse side-chain liquid crystalline polymers as a melt of comb copolymers in which the side groups are rod-coil diblock copolymers. We consider both excluded volume and Maier-Saupe interactions. The first acts…
We investigate the quantum phase transitions of the extended Hubbard model at half-filling with periodic boundary conditions employing the entanglement of particles, as opposed to the more traditional entanglement of modes. Our results show…
Using extensive molecular dynamics simulations, we obtain the conformational phase diagram of a charged polymer in the presence of oppositely charged counterions and neutral attractive crowders for monovalent, divalent and trivalent…
The phase diagram of the copper-oxide chain as a function of density and the nearest-neighbour Coulomb interaction, V, is determined. Phase separation takes place above a critical value of $V$ when the Cu2+ to Cu+ valence fluctuations…
We analyze the localized phase of a general model of a directed polymer in the proximity of an interface that separates two solvents. Each monomer unit carries a charge, $\omega_n$, that determines the type (attractive or repulsive) and the…
We employ diagrammatic Monte Carlo simulations to establish criteria for the stability of line-node semimetals in the presence of Coulomb interactions. Our results indicate a phase transition to a chiral insulating state that occurs at a…
We investigate the addition of stiffness to the lattice model of hydrogen-bonded polymers in two and three dimensions. We find that, in contrast to polymers that interact via a homogeneous short-range interaction, the collapse transition is…
We examine the alignment of thin film diblock copolymers subject to a perpendicular electric field. Two regimes are considered separately: weak segregation and strong segregation. For weakly segregated blocks, below a critical value of the…
The properties of the interface in a phase-separated solution of polymers with different degrees of polymerization and Kuhn segment lengths are calculated. The starting point is the planar interface, the profile of which is calculated in…
We examine the ground-state phase diagram and thermal phase transitions in a plaquettized fully frustrated bilayer spin-1/2 Heisenberg model. Based on a combined analysis from sign-problem free quantum Monte Carlo simulations, perturbation…
We determine the existence of critical lines in dimerized quantum spin ladders in their phase diagram of coupling constants using the finite-size DMRG algorithm. We consider both staggered and columnar dimerization patterns, and…
We consider the liquid-gas phase boundary in a binary fluid mixture near its critical end point. Using general scaling arguments we show that the diameter of the liquid-gas coexistence curve exhibits singular behaviour as the critical end…
The quantum XXZ spin model with alternating bond strengths under magnetic field has a rich equilibrium phase diagram which includes Haldane, Luttinger liquid, singlet, and paramagnetic phases. We show that the nearest neighbor bipartite and…
Understanding how interparticle interactions govern phase behavior is central to controlling self-organization in multicomponent soft-matter systems. In particular, the role of cross-interactions between unlike components remains…