相关论文: Continuum model for polymers with finite thickness
Spherical shell dynamo models based on rotating convection show that the flow within the tangent cylinder is dominated by an off-axis plume that extends from the inner core boundary to high latitudes and drifts westward. Earlier studies…
The interplay between non-trivial band topology and strong electronic correlations is a central challenge in modern condensed matter physics. We investigate this competition on a two-leg ladder model with a p-wave-like hybridisation between…
The interplay of geometrical and topological entanglement in semiflexible knotted polymer rings confined inside a spherical cavity is investigated using advanced numerical methods. By using stringent and robust algorithms for locating…
We present a kinetic model of crystal growth of polymers of finite molecular weight. Experiments help to classify polymer crystallization broadly into two kinetic regimes. One is observed in melts or in high molar mass polymer solutions and…
The non-linear response of entangled polymers to shear flow is complicated. Its current understanding is framed mainly as a rheological description in terms of the complex viscosity. However, the full picture requires an assessment of the…
A theoretical model of stabilization of a microtubule assembly due to microtubule-associated-proteins(MAP) is presented. MAPs are assumed to bind to the microtubule filaments, thus preventing their disintegration following hydrolysis and…
Polymers are among the most important materials in the modern society being found almost in every activity of our daily life. Understanding their chemical and physical properties lead to improvements of their usage. The correlation…
We investigate the topological properties of the bond order wave phase arising in the extended Fermi-Hubbard model. In particular, we uncover a topological sector, which remained elusive in previous finite-size numerical studies due to…
We use computer simulations to study the relaxation of strongly deformed highly entangled polymer melts in the non-linear viscoelastic regime, focusing on anisotropic chain conformations after isochoric elongation. The Doi-Edwards tube…
We investigate the stability of the deformation modeled by the opening angle method, often used to give a measure of residual stresses in arteries and other biological soft tubular structures. Specifically, we study the influence of…
Using molecular dynamic simulation, we study the stretching of an adsorbed homopolymer in a poor solvent with one end held at a distance $z_e$ from the substrate. We measure the vertical force $f$ on the end of the chain as a function of…
We propose a continuum theory to model the Mullins effect, which is ubiquitously observed in polymer composites. In the theory, the softening of the materials during the stretching process is accounted for by considering the delamination of…
We use continuum theory to show that chirality is a key thermodynamic control parameter for the aggregation of biopolymers: chirality produces a stable disperse phase of hexagonal bundles under moderately poor solvent conditions, as has…
The layered graphene systems exhibit the rich and unique excitation spectra arising from the electron-electron Coulomb interactions. The generalized tight-binding model is developed to cover the planar/buckled/cylindrical structures,…
Polymer models play the special role of elucidating the elementary features describing the physics of long molecules and become essential to interpret the measurements of their magnitudes. In this work the end-to-end distance of an…
The persistence length of macromolecules is one of their basic characteristics, describing their intrinsic local stiffness. However, it is difficult to extract this length from physical properties of the polymers, different recipes may give…
The dynamical properties of entangled polymers originate from the dynamic constraints due to the uncrossability between polymer chains. We propose a highly coarse-grained simulation model with transient bonds for such dynamically…
It is well known that the use of a consistent tangent stiffness matrix is critical to obtain quadratic convergence of the global Newton iterations in the finite element simulations of problems involving elasto-plastic deformation of metals,…
Molecular dynamics simulation of a generic polymer model is applied to study melts of polymers with different types of intrinsic stiffness. Important static observables of the single chain such as gyration radius or persistence length are…
Rayleigh--Taylor fluid turbulence through a bed of rigid, finite-size, spheres is investigated by means of high-resolution Direct Numerical Simulations (DNS), fully coupling the fluid and the solid phase via a state-of-the art Immersed…