相关论文: Polymers in Curved Boxes

We study the periodic buckling patterns that emerge when elastic shells are subjected to geometric confinement. Residual swelling provides access to range of shapes (saddles, rolled sheets, cylinders, and spherical sections) which vary in…

We consider the lattice model for an ideal-linear polymer chain to mimic the conformations of the semi-flexible homo-polymer chain. The polymer chain is assumed to confine in the fairly small area, such that the flexible chain conformations…

We study the thermodynamic properties of a semiflexible polymer confined inside strips of widths L<=9 defined on a square lattice. The polymer is modeled as a self-avoiding walk and a short range interaction between the monomers and the…

Spherical confinement in 3D harmonic, quartic and other higher oscillators of even order is studied. The generalized pseudospectral method is employed for accurate solution of relevant Schr\"odinger equation in an \emph{optimum,…

Bending of worm-like polymers carries an energy penalty which results in the appearance of a persistence length l such that the polymer is straight on length scales smaller than l and bends only on length scales larger than this length.…

We study the behavior of a flexible polymer chain in the presence of a low-molecular weight solvent in the vicinity of a liquid-gas critical point within the framework of a self-consistent field theory. The total free energy of the dilute…

We use computer simulations to investigate the stability of a two-component polymer brush de-mixing on a curved template into phases of different morphological properties. It has been previously shown via molecular dynamics simulations that…

We report extensive simulations of the relaxation dynamics of a self-avoiding polymer confined inside a cylindrical pore. In particular, we concentrate on examining how confinement influences the scaling behavior of the global relaxation…

We investigate equilibrium microstructures exhibited by diblock copolymers in confined 3D geometries. We perform Self-Consistent Field Theory (SCFT) simulations using a finite-element based computational framework (Ackerman et al. 2017),…

The entropy of a polymer confined in a curved surface and the elastic free energy of a membrane consisting of polymers are obtained by scaling analysis. It is found that the elastic free energy of the membrane has the form of the in-plane…

We investigate the structural, vibrational, and mechanical properties of jammed packings of deformable particles with shape degrees of freedom in three dimensions (3D). Each 3D deformable particle is modeled as a surface-triangulated…

Using extensive molecular dynamics simulations, we investigate the slowing down of dynamics in a 3D system of ring polymers by varying the ambient pressure and the stiffness of the rings. Our study demonstrates that the stiffness of the…

We study, via the replica method of disordered systems, the packing problem of hard-spheres with a square-well attractive potential when the space dimensionality, d, becomes infinitely large. The phase diagram of the system exhibits…

Structure and dynamics of a polymer under confinement gets significantly altered due to the imposed geometric restrictions. Using molecular dynamics simulations, here, we explore the effect of cylindrical confinement on the kinetics of…

A weakly charged flexible polyelectrolyte chain in a neutral spherical cavity is analyzed using self-consistent field theory (SCFT) within an explicit solvent model. Assuming the radial symmetry for the system, it is found that the…

We develop a statistical theory for the dynamics of non-aligning, non-interacting self-propelled particles confined in a convex box in two dimensions. We find that when the size of the box is small compared to the persistence length of a…

The state space of a polymer molecule is analysed. We show how the size of the state space can be reduced on the basis of symmetry. In the reduced state space, the probability of a new state (termed below as class) is equal to the number of…

The structure of flexible polymers endgrafted in cylindrical pores of diameter D is studied as a function of chain length N and grafting density \sigma, assuming good solvent conditions. A phenomenological scaling theory, describing the…

From understanding the sand on the beach to the foam on your beer, soft sphere simulations have been crucial to the study of the amorphous world around us. However, many of the materials we interact with on a daily basis aren't comprised of…

We consider quantum particle or Gaussian polymer confinement between two surfaces and in cylinders with sinusoidal undulations. In terms of the variational method, we show that the quantum mechanical wave equations have lower ground state…