Effects of spherical confinement and backbone stiffness on flexible polymer jamming

Abstract

We use molecular simulations to study jamming of a crumpled bead-spring model polymer in a finite container and compare to jamming of repulsive spheres. After proper constraint counting, the onset of rigidity is seen to occur isostatically as in the case of repulsive spheres. Despite this commonality, the presence of the curved container wall and polymer backbone bonds introduce new mechanical properties. Notably, these include additional bands in the vibrational density of states that reflect the material structure as well as oscillations in local contact number and density near the wall but with lower amplitude for polymers. Polymers have fewer boundary contacts, and this low-density surface layer strongly reduces the global bulk modulus. We further show that bulk-modulus dependence on backbone stiffness can be described by a model of stiffnesses in series and discuss potential experimental and biological applications.

arXiv comment10 pages, 8 figures

References in corpus (19)

• Jamming at Zero Temperature and Zero Applied Stress: the Epitome of Disorder
• Is Random Close Packing of Spheres Well Defined?
• Random Packings of Frictionless Particles
• Jamming of frictional spheres and random loose packing
• Hypoconstrained Jammed Packings of Nonspherical Hard Particles: Ellipses and Ellipsoids
• Finite-Size Scaling at the Jamming Transition
• Layering and position-dependent diffusive dynamics of confined fluids
• Confined granular packings: structure, stress, and forces
• Random Close Packing of Disks and Spheres in Confined Geometries
• Jamming in Systems Composed of Frictionless Ellipse-Shaped Particles
• The packing of granular polymer chains
• Disentangling the role of structure and friction in shear jamming
• Hypostatic jammed packings of frictionless nonspherical particles
• Jamming of semiflexible polymers
• Jamming in Granular Polymers
• Interpretation of the vibrational spectra of glassy polymers using coarse-grained simulations
• Universality of Vibrational Spectra of Globular Proteins
• Nonmonotonic dependence of polymer glass mechanical response on chain bending stiffness
• Isostaticity and Mechanical Response of Two-Dimensional Granular Piles

Cited by in corpus (2)

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• The connection between polymer collapse and the onset of jamming