Related papers: Conformational dynamics of charged polymers intera…
We present computational evidence using MD simulations of a size effect for the critical resolved shear stress (CRSS) of edge dislocation motion in nickel superalloys. We model the superalloy as periodically spaced cubic $\gamma'$…
A coarse grained model for flexible polymers end-grafted to repulsive spherical nanoparticles is studied for various chain lengths and grafting densities under good solvent conditions, by Molecular Dynamics methods and density functional…
We present numerical calculations of lamellar phases of di-block copolymers (BCP) confined between two surfaces, where the top surface is flat and the bottom one is corrugated. The corrugated substrate is assumed to have a single $q$-mode…
Rheological properties of a dense granular material consisting of frictionless spheres are investigated. It is found that the shear stress, the pressure, and the kinetic temperature obey critical scaling near the jamming transition point,…
Physically confining polymers into nanoscale pores induces significant changes in their dynamics. Although different results on the effect of confinement on the dynamics of polymers have been reported, changes in the segmental mobility of…
Hydrophobic interactions are central to biological self-assembly and soft matter organization, yet their microscopic origins remain debated. A key hallmark is the strengthening of attraction between hydrophobic solutes with increasing…
We investigate the dynamical chiral symmetry breaking and its restoration at finite density and temperature within the two-flavor Nambu-Jona-Lasinio model, and mainly focus on the critical behaviors near the critical end point (CEP) and…
The time-dependent transverse response of stiff polymers, represented as weakly-bending wormlike chains (WLCs), is well-understood on the linear level, where transverse degrees of freedom evolve independently from the longitudinal ones. We…
To investigate finite-volume effects on the chiral symmetry restoration and the deconfinement transition and some impacts of possible global topological background for a quantum chromodynamics (QCD) system with $N_f=2$ (two quark flavors),…
Investigating the correlations between dynamic and static storage properties of nanoporous electrodes is beneficial for further progress of supercapacitors-based technologies. While the dependence of the capacitance on the pores' sizes is…
We analyze thermodynamic models for fluid systems in equilibrium based on a virial expansion of the internal energy in terms of the volume density. We prove that the models, formulated for finite-size systems with $N$ particles, are exactly…
Highly concentrated or 'dense" particle suspensions can undergo a sharp increase in viscosity, or shear thickening, under applies stress. Understanding the fundamental features leading to such rheological changes in dense suspensions is…
We study the influence of chain stiffness on droplet flow in a nano-channel, coated with semiflexible hydrophobic polymers by means of non-equilibrium molecular-dynamics simulations. The studied system is then a moving droplet in the slit…
Colloids immersed in a critical binary liquid mixture are subject to critical Casimir forces (CCFs) because they confine its concentration fluctuations and influence the latter via effective surface fields. To date, CCFs have only been…
We demonstrate that application of an increasing shear field on a glass leads to an intriguing dynamic first order transition in analogy to equilibrium transitions. By following the particle dynamics as a function of the driving field in a…
Using Brownian Dynamics, we study the dynamical behavior of a polymer grafted onto an adhesive surface close to the mechanically induced adsorption-stretching transition. Even though the transition is first order, (in the infinite chain…
Short-fiber-reinforced polymer composites are increasingly used in engineering applications and industrial products owing to their unique combination of superior mechanical properties, and relatively easy and low cost manufacturing process.…
We study the interplay between wetting and miscibility of a symmetric polymer mixture via MC simulations and SCF calculations. The film surfaces interact with the monomers via short ranged potentials and the wetting transition is of first…
Spatial confinement of a near-critical medium changes its fluctuation spectrum and modifies the corresponding order parameter distribution. These effects result in effective, so-called critical Casimir forces (CCFs) acting on the confining…
This study reports a general scenario for the out-of-equilibrium features of collapsing polymeric architectures. We use molecular dynamics simulations to characterize the coarsening kinetics, in bad solvent, for several macromolecular…