Related papers: Micellization of Diblock Copolymer Modified by Con…
Elastic crystalline membranes exhibit a buckling transition from sphere to polyhedron. However, their morphologies are restricted to convex polyhedra and are difficult to externally control. Here, we study morphological changes of closed…
In recent experiments, small, thick-walled vesicles with a narrow size distribution were formed from copolymers where the degree of polymerisation of the hydrophobic block, N_B, was significantly greater than that of the hydrophilic block,…
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 dynamics of microphase separation and the orientation of lamellae in diblock copolymers is investigated in terms of a mean-field model. The formation of lamellar structures and their stable states are explored and it is shown that…
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…
Block copolymers often create droplets when placed on a substrate. Such nanostructured droplets can be arranged into regular microstructured arrays, thereby forming hierarchically organized materials that can be used in microelectronics,…
Microgels are soft colloidal particles that, when dispersed in a solvent, swell and deswell in response to changes in environmental conditions, such as temperature, concentration, and $p$H. Using Monte Carlo simulation, we model bulk…
The relative importance of the helicity and cross-helicity electromotive dynamo effects for self-sustained magnetic field generation by chaotic thermal convection in rotating spherical shells is investigated as a function of shell…
We employ density functional theory to study in detail the crystallization of super-paramagnetic particles in two dimensions under the influence of an external magnetic field that lies perpendicular to the confining plane. The field induces…
Density functional theory (DFT) is widely used to study defects in monolayer graphene with a view to applications ranging from water filtration to electronics to investigation of radiation damage in graphite moderators. To assess the…
The bending rigidity $k_c$ of bilayer vesicles self-assembled from amphiphilic diblock copolymers has been measured using single and dual-micropipet techniques. These copolymers are nearly a factor of 5 greater in hydrophobic membrane…
Cononsolvency occurs when two miscible, competing good solvents for a polymer are mixed, resulting in a loss of solubility. In this study, we demonstrate through simulations, supported by theory, that cononsolvency can be driven solely by…
A self-consistent-field theory (SCFT) in the grand canonical ensemble formulation is used to study transitions in a helix-coil multiblock copolymer globule. The helices are modeled as stiff rods. In addition to the established coil-globule…
We have studied structure formation in a confined block copolymer melt by means of dynamic density functional theory (DDFT). The confinement is two-dimensional, and the confined geometry is that of a cylindrical nanopore. Although the…
Cellulose nanocrystals (CNCs) are elongated nanoparticles derived from natural cellulose, with potential applications ranging from rheological modifiers and emulsion stabilizers to photonic pigments and sensors. For most applications,…
We present a simple model to study micellization of amphiphiles condensed on a rodlike polyion. Although the mean field theory leads to a first order micellization transition for sufficiently strong hydrophobic interactions, the simulations…
Boiling is a prevalent phase-change process that plays a vital role in facilitating efficient heat transfer from a heating surface. While this heat transfer mechanism is generally effective, a rapid increase in surface temperature can lead…
In this review, we address the issue of the electrostatic complexation between charged-neutral diblock copolymers and oppositely charged nanocolloids. We show that nanocolloids such as surfactant micelles and iron oxide magnetic…
Adhesion forces between submicrometer-sized silicate grains play a crucial role in the formation of silicate dust agglomerates, rocky planetesimals, and terrestrial planets. The surface energy of silicate dust particles is the key to their…
The relative importance of micelle solubilization and Krafft temperature on the appraisal of the flocculation rate is studied using a dodecane-in-water nanoemulsion as a model system. In 0.5 mM solutions of sodium dodecylsulfate (SDS),…