Related papers: Analytical expression for end-to-end- auto correla…
A quasi-two-dimensional system of hard spheres strongly confined between two parallel plates is considered. The attention is focussed on the macroscopic self-diffusion process observed when the system is looked from above or from below. The…
We present an in-depth multi-scale analysis of the conformations and dynamics of polar active polymers, comparing very dilute and very dense conditions. We unveil characteristic length and time scales, common to both dilute and dense…
A status report is presented on the large-volume simulations in the Schroedinger functional with two flavours of O(a) improved Wilson quarks performed by the ALPHA collaboration. The physics goal is to set the scale for the computation of…
We perform molecular-dynamics simulations for polymer melts of the coarse-grained polyvinyl alcohol model that crystallizes upon slow cooling. To establish the properties of its high temperature liquid state as a reference point, we…
Based on a recently established formalism (U. Ebert, J. Stat. Phys. 82, 183 (1996)) we analyze the diffusive motion of a long polymer in a quenched random medium. The medium is modeled by a frozen semidilute polymer system. In the framework…
The physical chemistry of liquid-liquid phase separation (LLPS) of polymer solutions bears directly on the assembly of biologically functional droplet-like bodies from proteins and nucleic acids. These biomolecular condensates include…
We study the connection between polymers at the theta temperature on the lattice and Schramm-Loewner chains with constant step length in the continuum. The latter realize a useful algorithm for the exact sampling of tricritical polymers,…
Open system simulations of quantum transport provide a platform for the study of true steady states, Floquet states, and the role of temperature, time-dynamics, and fluctuations, among other physical processes. They are rapidly gaining…
The interfacial tension between immiscible liquids is studied as a function of a model linear surfactant length and concentration using coarse grained, dissipative particle dynamics numerical simulations. The adsorption isotherms obtained…
We propose the finite-size scaling of correlation function in a finite system near its critical point. At a distance ${\bf r}$ in the finite system with size $L$, the correlation function can be written as the product of $|{\bf…
We model a macromolecule as an infinitely long Gaussian semi-flexible polymer chain and the conformations of the chain were realized in the nano cube using a cubic lattice. A modified version of the recursion relations is used to calculate…
We develop Monte Carlo simulations for uniformly charged polymers and machine learning algorithm to interpret the intra-polymer structure factor of the charged polymer system, which can be obtained from small-angle scattering experiments.…
We investigate nonlinear rheology of dilute liquid crystalline polymer solutions under time dependent two-directional shear flow. We analyze the Smoluchowski equation, which describes the dynamics of the orientation of a liquid crystalline…
We study theoretically the entropic elasticity of a semi-flexible polymer, such as DNA, confined to two dimensions. Using the worm-like-chain model we obtain an exact analytical expression for the partition function of the polymer pulled at…
The eigenvalues and eigenvectors of the matrix of coefficients of the linearized kinetic equations applied to aggregation in surfactant solution determine the full spectrum of characteristic times and specific modes of micellar relaxation.…
We consider a one-dimensional gas of hard point particles in a finite box that are in thermal equilibrium and evolving under Hamiltonian dynamics. Tagged particle correlation functions of the middle particle are studied. For the special…
Current models of phoretic transport rely on molecular forces creating a "diffuse" particle-fluid interface. We investigate theoretically an alternative mechanism, in which a diffuse interface emerges solely due to a non-vanishing…
We describe method to discuss thermodynamics of a defected semi-flexible homo-polymer chain in the two and three dimensions using fully directed self-avoiding walk lattice model. The defects are located along a line and these defects are…
The linear viscoelastic response of flexible polymer solutions in the dilute and semidilute unentangled regimes is investigated using Brownian dynamics simulations. The relaxation modulus and dynamic moduli are computed over a wide range of…
We develop a general analysis of the diffusive dynamics of polydisperse polymers in the presence of chemical potential gradients, within the context of the tube model (with all species entangled). We obtain a set of coupled dynamical…