Elastic Lennard-Jones Polymers Meet Clusters -- Differences and Similarities
arXiv:1007.3954 · doi:10.1063/1.3223720
Abstract
We investigate solid-solid and solid-liquid transitions of elastic flexible off-lattice polymers with Lennard-Jones monomer-monomer interaction and anharmonic springs by means of sophisticated variants of multicanonical Monte Carlo methods. We find that the low-temperature behavior depends strongly and non-monotonically on the system size and exhibits broad similarities to unbound atomic clusters. Particular emphasis is dedicated to the classification of icosahedral and non-icosahedral low-energy polymer morphologies.
9 pages, 17 figures
References in corpus (8)
- Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
- Multicanonical Ensemble: A New Approach to Simulate First-order Phase Transitions
- New Tetrahedral Global Minimum for the 98-atom Lennard-Jones Cluster
- Entropic effects on the structure of Lennard-Jones clusters
- Freezing and Collapse of Flexible Polymers on Regular Lattices in Three Dimensions
- Structural transitions in the 309-atom magic number Lennard-Jones cluster
- Surface effects in the crystallization process of elastic flexible polymers
- Theta-point behavior of diluted polymer solutions: Can one observe the universal logarithmic corrections predicted by field theory?
Cited by in corpus (23)
- Microcanonical entropy inflection points: Key to systematic understanding of transitions in finite systems
- Advanced multicanonical Monte Carlo methods for efficient simulations of nucleation processes of polymers
- From amorphous aggregates to polymer bundles: The role of stiffness on structural phases in polymer aggregation
- Identifying transitions in finite systems by means of partition function zeros and microcanonical inflection-point analysis: A comparison for elastic flexible polymers
- Aggregation of theta-polymers in spherical confinement
- Stabilization of helical macromolecular phases by confined bending
- Knots are Generic Stable Phases in Semiflexible Polymers
- Fictitious excitations in the classical Heisenberg antiferromagnet on the kagome lattice
- Thermodynamics of polymer adsorption to a flexible membrane
- Intra-Globular Structures in Multiblock Copolymer Chains from a Monte Carlo Simulation
- Massively parallelized replica-exchange simulations of polymers on GPUs
- Influence of Bonded Interactions on Structural Phases of Flexible Polymers
- Scaling Properties of Parallelized Multicanonical Simulations
- Supervised and Unsupervised Machine Learning of Structural Phases of Polymers Adsorbed to Nanowires
- Thermodynamics of the Adsorption of Flexible Polymers on Nanowires
- Fine-Tuning of Colloidal Polymer Crystals by Molecular Simulation
- Adsorption of polymers at nanowires
- Phase Diagram of Flexible Polymers with Quenched Disordered Charged Monomers
- Wang-Landau simulations with non-flat distributions
- Polymer collapse and crystallization in bond fluctuation models
- Smart Polymeric Recognition of a Hexagonal Monolayer
- From particle condensation to polymer aggregation
- Minimal energy packings of nearly flexible polymers