Related papers: Coarse Graining in Block Copolymer Films
Dielectric relaxation spectra of block polymers containing sequential type-A dipoles are considered. Spectra of a specific set of block copolymers can be combined to isolate the dynamic cross-correlation between the motions of two distinct…
We poorly understand the macroscopic properties of complex fluids and of amorphous bodies in general. This is mainly due to the interplay between phenomena at different levels and length-scales. In particular, it is not necessarily true…
A self-interacting polymer can undergo an orientational ordering transition, depending on the magnitude of the nematic interaction. The effect of embedding such a polymer into a flexible surface on this transition is studied on the…
We systematically derive an exact coarse-grained description for interacting particles with thermodynamically consistent stochastic dynamics, applicable across different observation scales, the mesoscopic and the macroscopic. We implement…
We use confocal microscopy and time-resolved light scattering to investigate plasticity in a col- loidal polycrystal, following the evolution of the network of grain boundaries as the sample is submitted to thousands of shear deformation…
The rapid collapse of a polymer, due to external forces or changes in solvent, yields a long-lived `crumpled globule.' The conjectured fractal structure shaped by hierarchical collapse dynamics has proved difficult to establish, even with…
We report results of long timescale adaptive kinetic Monte Carlo simulations aimed at identifying possible molecular reordering processes on both proton-disordered and ordered (Fletcher) basal plane (0001) surfaces of hexagonal ice. The…
Atomistic simulations are used to study segregation-induced intergranular film formation in Cu-Zr and Cu-Nb alloys. While Cu-Zr forms structurally disordered or amorphous films, ordered films comprised of a second phase usually precipitate…
Context. Particles in protoplanetary disks go through a number of phases that are dominated by collisions. In each of these events, grains exchange electrical charge via triboelectric effects. This enhances the stability of particle…
We formulate thermodynamically consistent coarse-graining procedures for molecular systems undergoing thermally and photo-induced transitions: starting from elementary vibronic transitions, we derive effective photo-isomerization reactions…
The presence of nanoparticles in a diblock copolymer leads to changes in the morphology and properties of the matrix and can produce highly organized hybrid materials. The resulting material properties depend not only on the polymer…
The packing geometry of macromolecules in complex mesophases is of key importance to self-organization in synthetic and biological soft materials. While approximate or heuristic models rely on often-untested assumptions about how flexible…
The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…
Soft nanocomposites represent both a theoretical and an experimental challenge due to the high number of the microscopic constituents that strongly influence the behaviour of the systems. An effective theoretical description of such systems…
We study the segregation of granular mixtures in two-dimensional silos using a set of coupled equations for surface flows of grains. We study the thick flow regime, where the grains are segregated in the rolling phase. We incorporate this…
We study the equilibrium properties of a model of magnetic diblock copolymer where each monomer is decorated with an Ising-like spin. Spins interact ferromagnetically within each block and antiferromagnetically across blocks, generating…
A simple model was constructed to describe the polar ordering of non-centrosymmetric supramolecular aggregates formed by self assembling triblock rodcoil polymers. The aggregates are modeled as dipoles in a lattice with an Ising-like…
Rock weathering is a common phenomenon in most engineering applications, such as underground storage or geothermal energy. This work offers a discrete element modelization of the problem considering cohesive granular material and debonding…
We investigate experimentally the collective behavior of a wet granular monolayer under vertical vibrations. The spherical particles are partially wet such that there are short-ranged attractive interactions between adjacent particles. As…
Molecular building blocks interacting at the nanoscale organize spontaneously into stable mono- layers that display intriguing long-range ordering motifs on the surface of atomic substrates. The patterning process, if appropriately…