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The freely rotating chain is one of the classic discrete models of a polymer in dilute solution. It consists of a broken line of N straight segments of fixed length such that the angle between adjacent segments is constant and the N-1…
Almost all the polymer crystals have several polymorphic modifications. Their structure and existence conditions, as well as transitions between them are not understood even in the case of the 'model' polymer polyethylene (PE). For analysis…
Mono- and poly-disperse melts of oligomers (average length 10 monomers) of trans-1,4-polyisoprene are simulated in full atomistic detail. The force-field is developed by means of a mixture of ab initio quantum-chemistry and an automatic…
This paper introduces a novel dynamical model, building upon the existing dynamical model for Deimos in the current numerical ephemerides, which only encompasses the simple libration effects of Deimos. The study comprehensively incorporates…
In reconstituting k-mer models, extended objects which occupy several sites on a one dimensional lattice, undergo directed or undirected diffusion, and reconstitute -when in contact- by transferring a single monomer unit from one k-mer to…
We present a new method for constructing equilibrium phase models for stellar systems, which we call the iterative method. It relies on constrained, or guided evolution, so that the equilibrium solution has a number of desired parameters…
We experimentally measure the osmotic pressures of linear polymers and three-, four-, and eight-arm star polymers in a good solvent via membrane osmometry. These results reveal that the osmotic equations of state in the star polymer…
This paper is devoted to study cylindrically symmetric stellar filaments in self-interacting Brans-Dicke gravity. For this purpose, we construct polytropic filamentary models through generalized Lane-Emden equation in Newtonian regime. The…
We describe the deformation cohomology of a symplectic groupoid, and use it to study deformations via Moser path methods, proving a symplectic groupoid version of the Moser Theorem. Our construction uses the deformation cohomologies of Lie…
In this work, following the discrete de Rham (DDR) approach, we develop a discrete counterpart of a two-dimensional de Rham complex with enhanced regularity. The proposed construction supports general polygonal meshes and arbitrary…
We discuss in detail a well known method for obtaining the frequencies of the normal modes of coupled harmonic oscillators that is based on the simultaneous diagonalization of two symmetric matrices. We apply it to some simple illustrative…
Polymeric materials that couple deformation and electrostatics have the potential for use in soft sensors and actuators with potential applications ranging from robotic, biomedical, energy, aerospace and automotive technologies. In contrast…
We study the dynamics of a polymer that is pulled by a constant force through a viscoelastic medium. This is a model for a polymer being pulled through a cell by an external force, or for an active biopolymer moving due to a self generated…
We study conformations and dynamics of active star polymers. The analysis shows that active star polymers stretching behaviour is quite different from that of active linear chains. The visual inspection of conformations and bond-bond…
We apply the Proper Orthogonal Decomposition (POD) method for the efficient simulation of several scenarios undergone by Micro-Electro-Mechanical-Systems, involving nonlinearites of geometric and electrostatic nature. The former type of…
We have developed a symmetry-adapted modeling procedure for molecules and crystals. By using the completeness of multipoles to express spatial and time-reversal parity-specific anisotropic distributions, we can generate systematically the…
Active polymers are ubiquitous in nature, and often kicked by persistent noises that break detailed balance. In order to capture the out-of-equilibrium dynamics of such active polymers, we propose a simple yet reliable analytical framework…
We calculate the scattering intensity of dilute and semi-dilute solutions of star polymers. The star conformation is described by a model introduced by Daoud and Cotton. In this model, a single star is regarded as a spherical region of a…
Through extensive molecular simulations we determine a phase diagram of attractive, flexible polymer chains in two and three dimensions. A surprisingly rich collection of distinct crystal morphologies appear, which can be finely tuned…
By means of continuous space Monte Carlo simulation we study conformational structures formed by star and comb heteropolymers during kinetics of folding from the coil to the globule, as well as the corresponding equilibrium states on going…