Related papers: Microphase separation in polyelectrolytic diblock …
We analyze the energetics of sphere-like micellar phases in diblock copolymers in terms of well-studied, geometric quantities for their lattices. We argue that the A15 lattice with Pm3n symmetry should be favored as the blocks become more…
We study the quantum corrections to the polarizability of isolated metallic mesoscopic systems using the loop-expansion in diffusive propagators. We show that the difference between connected (grand-canonical ensemble) and isolated…
The thermal decomposition behavior, the microstructural evolution and its influence on the mechanical properties of a supersaturated Cu Co solid solution with ~100 nm average grain size prepared by severe plastic deformation is investigated…
In this paper we provide a detailed convergence analysis for an unconditionally energy stable, second-order accurate convex splitting scheme for the Modified Phase Field Crystal equation, a generalized damped wave equation for which the…
The simplest statistical-mechanical model of crystalline formation (or alloy formation) that includes electronic degrees of freedom is solved exactly in the limit of large spatial dimensions and infinite interaction strength. The solutions…
In many systems, nucleation of a stable solid may occur in the presence of other (often more than one) metastable phases. These may be polymorphic solids or even liquid phases. In such cases, nucleation of the solid phase from the melt may…
The ability to reliably predict the structures and stabilities of a molecular crystal and its polymorphs without any prior experimental information would be an invaluable tool for a number of fields, with specific and immediate applications…
New insights into phase separation in colloidal suspensions are provided via a new dynamical theory based on the Polydisperse Lattice-Gas model. The model gives a simplified description of polydisperse colloids, incorporating a hard-core…
We present results of temperature resolved scattering studies of a liquid crystalline block copolymer undergoing an order-disorder transition (ODT) in the presence of magnetic fields and time-resolved measurements during isothermal field…
We investigate the competition between spin-supersolidity and phase separation in a frustrated spin-half model of weakly coupled dimers. We start by considering systems of hard-core bosons on the square lattice, onto which the low-energy…
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…
We investigate the phase diagram of disordered copolymers at the interface between two selective solvents, and in particular its weak-coupling behavior, encoded in the slope $m_c$ of the critical line at the origin. In mathematical terms,…
A general quantitative measure of the tendency towards phase separation is introduced for systems exhibiting phase transitions or crossovers controlled by charge carrier concentration. This measure is devised for the situations when the…
Specialized Monte Carlo simulation techniques and moment free energy method calculations, capable of treating fractionation exactly, are deployed to study the crystalline phase behaviour of an assembly of spherical particles described by a…
A machine learning approach is presented to accelerate the computation of block polymer morphology evolution for large domains over long timescales. The strategy exploits the separation of characteristic times between coarse-grained…
Methods to efficiently determine the relative stability of polymorphs of organic crystals are highly desired in crystal structure predictions (CSPs). Current methodologies include use of static lattice phonons, quasi-harmonic approximation…
We present a minimal model to study liquid phase separation in a fixed pH ensemble. The model describes a mixture composed of macromolecules that exist in three different charge states and have a tendency to phase separate. We introduce the…
Via evaluation of the Lyapunov exponent, we report the discovery of three prominent sets of phase space regimes of quasi-periodic orbits of charged particles trapped in a dipole magnetic field. Besides the low energy regime that has been…
The effects of dilution disorder and random-displacement disorder are analyzed for dipolar-coupled magnetic moments confined in a plane, which were originally placed on the square lattice. In order to distinguish the different phases, new…
We investigate the behaviour of randomly cross-linked (co)polymer blends using a combination of replica theory and large-scale molecular dynamics simulations. In particular, we derive the analogue of the random phase approximation for…