We consider a long, semiflexible polymer with persistence length P and contour length L fluctuating in a narrow cylindrical channel of diameter D. In the regime D<
Download full-text PDF
Source
http://dx.doi.org/10.1103/PhysRevE.76.011804 DOI Listing Publication Analysis
Top Keywords
Similar Publications
Generalized Langevin equation for a tagged monomer in a Gaussian semiflexible polymer.
J Chem Phys
December 2024
Department of Physics, Pohang University of Science and Technology (POSTECH), Pohang 37673, Republic of Korea.
In this study, we present a comprehensive analysis of the motion of a tagged monomer within a Gaussian semiflexible polymer model. We carefully derived the generalized Langevin equation (GLE) that governs the motion of a tagged central monomer. This derivation involves integrating out all the other degrees of freedom within the polymer chain, thereby yielding an effective description of the viscoelastic motion of the tagged monomer.
View Article and Find Full Text PDFThe Precise Synthesis of Ultradense Bottlebrush Polymers Unearths Unique Trends in Lyotropic Ordering.
J Am Chem Soc
December 2024
Department of Chemistry at Brown University, 324 Brook Street, Providence, Rhode Island 02912, United States.
Biomacromolecular networks with multiscale fibrillar structures are characterized by exceptional mechanical properties, making them attractive architectures for synthetic materials. However, there is a dearth of synthetic polymeric building blocks capable of forming similarly structured networks. Bottlebrush polymers (BBPs) are anisotropic graft polymers with the potential to mimic and replace biomacromolecules such as tropocollagen for the fabrication of synthetic fibrillar networks; however, a longstanding limitation of BBPs has been the lack of rigidity necessary to access the lyotropic ordering that underpins the formation of collagenous networks.
View Article and Find Full Text PDFDependencies between effective parameters in coarse-grained models for phase separation of DNA-based fluids.
J Chem Phys
December 2024
Institute for Theoretical Physics IV, University of Stuttgart, Heisenbergstr. 3, 70569 Stuttgart, Germany.
Article Synopsis
- DNA is a powerful tool for creating synthetic nanostructures, and while single molecules can be engineered to fold into complex shapes, less is known about the behavior of larger DNA assemblies in solution.
- Recent research explores how single-stranded DNA fluids can separate into dense and dilute phases, which could lead to new types of hierarchical structures.
- A simplified model has been developed to understand single-polymer behavior and phase separation, but challenges remain in accurately simulating interactions, particularly the role of counterions in affecting electrostatic attractions.
A discretized representation for Monte Carlo simulation of deformed semiflexible chains.
J Chem Phys
December 2024
Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.
In this study, we present a novel orientation discretization approach based on the rhombic triacontahedron for Monte Carlo simulations of semiflexible polymer chains, aiming at enhancing structural analysis through rheo-small-angle scattering (rheo-SAS). Our approach provides a more accurate representation of the geometric features of semiflexible chains under deformation, surpassing the capabilities of traditional lattice structures. Validation against the Kratky-Porod chain system demonstrated superior consistency, underscoring its potential to significantly improve the precision of uncovering geometric details from rheo-SAS data.
View Article and Find Full Text PDFDynamics of Nanoparticles in Solutions of Semiflexible Ring Polymers.
J Phys Chem B
December 2024
Department of Chemical and Biomolecular Engineering, University of Houston, Houston, Texas 77204, United States.
We use hybrid molecular dynamics-multiparticle collision dynamics (MD-MPCD) simulations to investigate the influence of chain stiffness on the transport of nanoparticles (NPs) through solutions of semiflexible ring polymers. The NPs exhibit subdiffusive dynamics on short time scales before transitioning to normal diffusion at longer times. The terminal NP diffusivity decreases with increasing ring stiffness, similar to the behavior observed in solutions of semiflexible linear chains.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!