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The crossover region in the phase diagram of polymer solutions, in the regime above the overlap concentration, is explored by Brownian Dynamics simulations, to map out the universal crossover scaling functions for the gyration radius and…

软凝聚态物质 · 物理学 2020-07-03 Aashish Jain , B. Duenweg , J. Ravi Prakash

We perform molecular-dynamics simulations for polymer melts of the coarse-grained polyvinyl alcohol model that crystallizes upon slow cooling. To establish the properties of its high temperature liquid state as a reference point, we…

软凝聚态物质 · 物理学 2018-11-14 Sara Jabbari-Farouji

We study statistical copolymerization effects on the upper critical solution temperature (CST) of generic homopolymers by means of coarse-grained Langevin dynamics computer simulations and mean-field theory. Our systematic investigation…

软凝聚态物质 · 物理学 2015-10-26 Bernhard Schulz , Richard Chudoba , Jan Heyda , Joachim Dzubiella

The equilibrium structure and dynamics of a single polymer chain in a thermal solvent is by now well-understood in terms of scaling laws. Here we consider a polymer in a bacterial bath, i.e. in a solvent consisting of active particles which…

软凝聚态物质 · 物理学 2014-07-29 Andreas Kaiser , Hartmut Löwen

Brownian dynamics simulations of a coarse-grained bead-spring chain model, with Debye-H\"uckel electrostatic interactions between the beads, are used to determine the root-mean-square end-to-end vector, the radius of gyration, and various…

软凝聚态物质 · 物理学 2020-07-03 W. Chamath Soysa , B. Dünweg , J. Ravi Prakash

Many glass-forming fluids exhibit a remarkable thermodynamic scaling in which dynamic properties, such as the viscosity, the relaxation time, and the diffusion constant, can be described under different thermodynamic conditions in terms of…

软凝聚态物质 · 物理学 2015-06-16 Wen-Sheng Xu , Karl F. Freed

We establish rates of convergence of solutions to scaling (or similarity) profiles in a coagulation type system modelling submonolayer deposition. We prove that, although all memory of the initial condition is lost in the similarity limit,…

经典分析与常微分方程 · 数学 2015-12-23 Fernando P. da Costa , João T. Pinto , Rafael Sasportes

We revisit the classical problem of a polymer confined in a slit in both of its static and dynamic aspects. We confirm a number of well known scaling predictions and analyse their range of validity by means of comprehensive Molecular…

Active polymeric systems exhibit a rich spectrum of non-equilibrium phenomena arising from stochastic forces that explicitly break detailed balance. Despite the rapid growth of experimental and numerical studies, analytical progress remains…

软凝聚态物质 · 物理学 2026-03-09 Takahiro Sakaue , Enrico Carlon

We present a unified scaling theory for the dynamics of monomers for dilute solutions of semiflexible polymers under good solvent conditions in the free draining limit. Our theory encompasses the well-known regimes of mean square…

软凝聚态物质 · 物理学 2015-06-17 Aiqun Huang , Ramesh Adhikari , Aniket Bhattacharya , Kurt Binder

The universality of the swelling of the radius of gyration of a homopolymer relative to its value in the $\theta$ state, independent of polymer-solvent chemistry, in the crossover regime between $\theta$ and athermal solvent conditions, is…

软凝聚态物质 · 物理学 2020-07-03 Aritra Santra , Kiran Kumari , R. Padinhateeri , B. Duenweg , J. Ravi Prakash

A polymer model given in terms of beads, interacting through Hookean springs and hydrodynamic forces, is studied. Brownian dynamics description of this bead-spring polymer model is extended to multiple resolutions. Using this multiscale…

化学物理 · 物理学 2018-06-13 Edward Rolls , Radek Erban

The role of solvent quality in determining the universal material properties of dilute polymer solutions undergoing steady simple shear flow is examined. A bead-spring chain representation of the polymer molecule is used, and the influence…

软凝聚态物质 · 物理学 2020-07-03 K. Satheesh Kumar , J. Ravi Prakash

A number of recent experiments have provided detailed observations of the configurations of long DNA strands under nano-to-micrometer sized confinement. We therefore revisit the problem of an excluded volume polymer chain confined between…

软凝聚态物质 · 物理学 2011-03-23 Debasish Chaudhuri , Bela Mulder

The dynamics of star polymers has been investigated via extensive Molecular- and Brownian Dynamics simulations for a large range of functionality $f$ and packing fraction $\eta$. The calculated isodiffusivity curves display both minima and…

软凝聚态物质 · 物理学 2009-11-10 G. Foffi , F. Sciortino , P. Tartaglia , E. Zaccarelli , F. Lo Verso , L. Reatto , K . A. Dawson , C. N. Likos

According to the universality hypothesis, the phase behavior of different block copolymer melt models having fixed composition depends solely on two parameters: the invariant chain length $\bar{N}$ and the effective interaction parameter…

软凝聚态物质 · 物理学 2024-08-16 Artem Petrov , Hejin Huang , Alfredo Alexander-Katz

The influence of monomer-monomer interactions on the scaling exponents and shape characteristics of a single polymer chain in a selective solvent is investigated using Langevin dynamics simulations. By systematically increasing the…

软凝聚态物质 · 物理学 2025-04-01 K. Haydukivska

Experimental observations and computer simulations have recently revealed universal aspects of polymer solution behaviour that were previously unknown. This progress has been made possible due to developments in experimental methodologies…

软凝聚态物质 · 物理学 2020-07-03 J. Ravi Prakash

We consider the thermodynamics of a uniformly charged polyelectrolyte with harmonic bonds. For such a system there is at high temperatures an approximate scaling of global properties like the end-to-end distance and the interaction energy…

chem-ph · 物理学 2016-08-15 Carsten Peterson , Ola Sommelius , Bo Söderberg

Predicting the macroscopic mechanical behavior of polymeric materials from the micro-structural features has remained a challenge for decades. Existing theoretical models often fail to accurately capture the experimental data, due to…

软凝聚态物质 · 物理学 2025-07-04 Lin Zhan , Siyu Wang , Rui Xiao , Shaoxing Qu , Paul Steinmann
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