Related papers: Polymer Knots in Thin Films: Thickness Dependence,…
We consider a model of a thin film elastically attached to a rigid substrate. In the case in which the film expands relative to the substrate and assuming certain non-linear elastic behavior of the film, expansion ridges may appear, in…
The most tight conformations of prime knots are found with the use of the SONO algorithm. Their curvature and torsion profiles are calculated. Symmetry of the knots is analysed. Connections with the physics of polymers are discussed.
We present a molecular dynamics study of the influence of knot complexity and molecular mass on glass formation upon cooling in knotted ring polymer melts. We find that cooperative motion, rigidity, and glassy dynamics can be tuned over a…
We examine the effects of confinement on the dynamics of premelted films driven by thermomolecular pressure gradients. Our approach is to modify a well-studied setting in which the thermomolecular pressure gradient is driven by a…
Conformations of a crowded neutral semiflexible polymer under confinement near an attractive wall are studied via coarse-grained simulations. We study the effects of the interplay of the length of the polymer, bending rigidity, and the…
Topological insulators are immensely investigated for their surface states related properties as these materials can be used for various spintronics, quantum computing, and optoelectronics applications. In this perspective, different…
Brownian motion and viscoelasticity of semiflexible polymers is a subject that has been studied for many years. Still, rigorous analysis has been hindered due to the difficulty in handling the constraint that polymer chains cannot be…
The role of the topology and its relation with the geometry of biopolymers under different physical conditions is a nontrivial and interesting problem. Aiming at understanding this issue for a related simpler system, we use Monte Carlo…
In this letter, we demonstrate a relation between the boundary curvature $\kappa$ and the wrinkle wavelength $\lambda$ of a thin suspended film under boundary confinement. Experiments are done with nanocrystalline diamond films of thickness…
A simple and predictive model is put forward explaining the experimentally observed substantial shift of the glass transition temperature, Tg, of sufficiently thin polymer films. It focuses on the limit of small molecular weight, where…
Amorphous sputtered Co-based thin films are widely used as soft magnetic materials in applications such as sensors, inductors and magnetic flux concentrators. The magnetic properties of these films can be controlled by deposition parameters…
In this paper, we employ Molecular Dynamics computer simulations to study and compare the statics and dynamics of linear and circular (ring) polymer chains in entangled solutions of different densities. While we confirm that linear chain…
Chain molecules play important roles in industry and in living cells. Our focus here is on distinct ways of modeling the stiffness inherent in a chain molecule. We consider three types of stiffnesses -- one yielding an energy penalty for…
The impact of confinement on self-assembly of particles interacting with short-range attraction and long-range repulsion (SALR) potential is studied for thermodynamic states corresponding to local ordering of clusters or layers in the bulk.…
Materials with J-shaped stress-strain behavior under uniaxial stretching, where strength increases as deformation progresses, have been developed through various materials designs. On the other hand, polymer materials that progressively…
The instability, dynamics and morphological transitions of patterns in thin liquid films on periodic striped surfaces (consisting of alternating less and more wettable stripes) are investigated based on 3-D nonlinear simulations that…
The tube model is a central concept in polymer physics, and allows to reduce the complex many-filament problem of an entangled polymer solution to a single filament description. We investigate the probability distribution function of…
When injected through a contraction, high molecular weight polymer solutions exhibit a sharp increase of apparent viscosity which originates from stretching polymer chains above a critical extension rate. This chain stretching can also…
We study the effect of physical confinement on the capillary infiltration of polymers into cylindrical nanopores using molecular dynamics simulations. In particular, we probe whether the critical contact angle above which capillary rise…
Macromolecules can gain special properties by adopting knotted conformations, but engineering knotted macromolecules is a challenging task. Here we surprisingly observed that knotting can be very effectively produced in active polymers.…