Related papers: Modeling induction period of polymer crystallizati…
We perform molecular dynamics simulations for a simple coarse-grained model of crambin placed inside of a softly repulsive sphere of radius R. The confinement makes folding at the optimal temperature slower and affects the folding…
Identifying the conditions under which glass formation occurs is crucial for a fundamental understanding of the glass transition mechanism. Pure liquids devoid of any frustration avoid glass transition and undergo crystallization. In this…
Spinodal decomposition in a near-critical binary fluid is examined for experimental scenarios in which the liquid is quenched abruptly by changing the pressure and the subsequent phase separation occurs with no heat flow from the outside,…
Via large-scale molecular dynamics simulations, we observe the melting of a topological glass of stiff ring polymers by incorporating flexible ring polymers, along an isobaric path. As more flexible ring polymers are introduced, cluster…
The nematic ordering in semiflexible polymers with contour length $L$ exceeding their persistence length $\ell_p$ is described by a confinement of the polymers in a cylinder of radius $r_{eff}$ much larger than the radius $r_\rho$, expected…
Binary mixtures of lamellar colloids represented by hard platelets are studied within a generalization of the Zwanzig model for rods, whereby the square cuboids can take only three orientations along the $x$, $y$ or $z$ axes. The free…
We examine the influence of density on the transition between chain and spiral structures in planar assemblies of active semiflexible filaments, utilizing detailed numerical simulations. We focus on how increased density, and higher…
Motivated by a recent work on the metabolism of carbohydrates in bacteria, we study the kinetics and thermodynamics of two classic models for reversible polymerization, one preserving the total polymer concentration and the other one not.…
Active matter agents consume internal energy or extract energy from the environment for locomotion and force generation. Already rather generic models, such as ensembles of active Brownian particles, exhibit phenomena, which are absent at…
Bonding between polymeric interfaces is encountered widely in several industrial applications. Many of these bonding processes rely on time-consuming and temperature-dependent classical mechanism of polymer interdiffusion via reptation in a…
In this study, we present theoretical investigations of phase transitions and critical phenomena in materials through the lens of second-order Ginzburg-Landau theory, in conjunction with considerations of symmetry groups and thermal…
We investigate a phenomenological model for the spin glass phase of La_{2-x}Sr_xCuO_4, in which it is assumed that holes doped into the CuO_2 planes localize near their Sr dopant, where they cause a dipolar frustration of the…
Monte Carlo simulations are used to study the translocation of a polymer into a cavity. Modeling the polymer as a hard-sphere chain with a length up to N=601 monomers, we use a multiple-histogram method to measure the variation of the…
Understanding how to produce forces using biomolecular building blocks is essential for the development of adaptive synthetic cells and living materials. Here we ask whether a dynamic polymer system can generate deformation forces in soft…
Interaction of the superconducting condensate with deformations of the crystal lattice is formulated assuming the electrostatic potential of Bernoulli type and the effect of strain on material parameters. In the isotropic approximation it…
We investigate the motion of two overlapping polymers with self-avoidance confined in a narrow 2d box. A statistical model is constructed using blob free-energy arguments. We find spontaneous segregation under the condition: $L > R_{//}$,…
The force-assisted desorption kinetics of a macromolecule from adhesive surface is studied theoretically, using the notion of tensile (Pincus) blobs, as well as by means of Monte-Carlo (MC) and Molecular Dynamics (MD) simulations. We show…
Furukawa predicted that at late times, the domain growth in binary fluids scales as $\ell(t)\sim t^{2/3}$, and the growth is driven by fluid inertia. The {\it inertial growth regime} has been highly elusive in molecular dynamics (MD)…
We calculate exactly the first cumulants of the free energy of a directed polymer in a random medium for the geometry of a cylinder. By using the fact that the n-th moment <Z^n> of the partition function is given by the ground state energy…
Nematic polymeric networks are (heat and light) activable materials, which combine the features of rubber and nematic liquid crystals. When only the stretching energy of a thin sheet of nematic polymeric network is minimized, the intrinsic…