相关论文: A thermodynamically consistent constitutive equati…
Exactly solvable models provide an opportunity to study different aspects of reduced quantum dynamics in detail. We consider the reduced dynamics of a single spin in finite XX and XY spin 1/2 chains. First we introduce a general expression…
We develop a data-driven framework for discovering constitutive relations in models of fluid flow and scalar transport. Under the assumption that velocity and/or scalar fields are measured, our approach infers unknown closure terms in the…
Exact solutions for the elastic and thermodynamic properties for the wormlike chain model are elaborated in terms of Mathieu functions. The smearing of the classical Euler buckling instability for clamped polymers is analyzed for the…
We analyze the representation of viscous stresses in the one-fluid formulation of the two-phase Navier-Stokes equations, the model on which all computational approaches making use of a fixed mesh to discretize the flow field are grounded.…
In this paper we study a system of entangled chains that bear reversible cross-links in a melt state. The cross-links are tethered uniformly on the backbone of each chain. A slip-link type model for the system is presented and solved for…
Using extensive computer simulations, the behavior of the structural modes --- more precisely, the eigenmodes of a phantom Rouse polymer --- are characterized for a polymer in the three-dimensional repton model, and are used to study the…
We use computer simulations to study the relaxation of strongly deformed highly entangled polymer melts in the non-linear viscoelastic regime, focusing on anisotropic chain conformations after isochoric elongation. The Doi-Edwards tube…
The dynamics of filaments in flow are central to understanding a wide range of biological and soft-matter systems, yet their behavior under time-dependent forcing remains poorly understood. Here, we investigate the long-time dynamics of…
A discrete--dynamics model, which is specified solely in terms of the system's equilibrium structure, is defined for the density correlators of a simple fluid. This model yields results for the evolution of glassy dynamics which are…
We have connected the dynamic fragility, namely the rapidity of the relaxation time increase upon temperature reduction, to the excess entropy and heat capacity of a large number of glass-forming polymers. The connection was obtained in a…
This work is devoted to study the global behavior of viscous flows contained in a symmetric domain with complete slip boundary. In such scenario the boundary no longer provides friction and therefore the perturbation of angular velocity…
We investigate the non-equilibrium dynamics of an isolated polymer in a stationary elongational flow. We compute the relaxation time to the steady-state configuration as a function of the Weissenberg number. A strong increase of the…
The role of active stress on the conformational dynamics of a polymer has drawn significant interest due to its potential applications in understanding the energy landscape of protein structures, buckling of biopolymers, genomic spatial…
In this chapter we review concepts and theories of polymer dynamics. We think of it as an introduction to the topic for scientists specializing in other subfields of statistical mechanics and condensed matter theory, so, for the readers…
A constitutive model is derived for the time-dependent response of particle-reinforced elastomers at finite strains. An amorphous rubbery polymer is treated as a network of long chains linked by permanent junctions (chemical crosslinks,…
Understanding the complex viscoelastic properties of polymeric liquids remains a challenge in materials science and soft matter physics. Here, we present a simple and computationally efficient criterion for the topological constraints in…
We propose a system of conservation laws with relaxation source terms (i.e. balance laws) for non-isothermal viscoelastic flows of Maxwell fluids. The system is an extension of the polyconvex elastodynamics of hyperelastic bodies using…
Motivated by recent observations that non-concatenated ring polymers in their dense solution exhibit a glass-like dynamics, we propose a free volume description of the motion of such rings based on the notion of topological volume. We first…
We develop a learning strategy to infer the constitutive relation for the stress of polymeric flows with memory. We make no assumptions regarding the functional form of the constitutive relations, except that they should be expressible in…
The force-assisted desorption kinetics of a macromolecule from adhesive surface is studied theoretically, using the notion of tensile (Pincus) blobs, as well as by means of Monte-Carlo (MC) and Molecular Dynamics (MD) simulations. We show…