Thermodynamics of the Adsorption of Flexible Polymers on Nanowires
arXiv:1503.01715 · doi:10.1063/1.4913959
Abstract
Generalized-ensemble simulations enable the study of complex adsorption scenarios of a coarse-grained model polymer near an attractive nanostring, representing an ultrathin nanowire. We perform canonical and microcanonical statistical analyses to investigate structural transitions of the polymer and discuss their dependence on the temperature and on model parameters such as effective wire thickness and attraction strength. The result is a complete hyperphase diagram of the polymer phases, whose locations and stability are influenced by the effective material properties of the nanowire and the strength of the thermal fluctuations. Major structural polymer phases in the adsorbed state include compact droplets attached to or wrapping around the wire, and tubelike conformations with triangular pattern that resemble ideal boron nanotubes. The classification of the transitions is performed by microcanonical inflection-point analysis.
References in corpus (14)
- Microcanonical Analyses of Peptide Aggregation Processes
- Transitions of tethered polymer chains: A simulation study with the bond fluctuation lattice model
- Freezing and Collapse of Flexible Polymers on Regular Lattices in Three Dimensions
- Elastic Lennard-Jones Polymers Meet Clusters -- Differences and Similarities
- Surface effects in the crystallization process of elastic flexible polymers
- Thermodynamics of Peptide Aggregation Processes. An Analysis from Perspectives of Three Statistical Ensembles
- Substrate Specificity of Peptide Adsorption: A Model Study
- Substrate Adhesion of a Nongrafted Flexible Polymer in a Cavity
- Generic folding and transition hierarchies for surface adsorption of hydrophobic-polar lattice model proteins
- Conformational Mechanics of Polymer Adsorption Transitions at Attractive Substrates
- Conformational phase diagram for polymers adsorbed at ultrathin nanowires
- Adsorption and Pattern Recognition of Polymers at Complex Surfaces with Attractive Stripe-like Motifs
- Structural Arrangements of Polymers Adsorbed at Nanostrings
- Adsorption of polymers at nanowires