Related papers: A thermodynamically consistent constitutive equati…
An exactly soluble non-linear interaction Hamiltonian is proposed to study fundamental properties of the entanglement dynamics for a coupled non-linear oscillators. The time-evolved state is obtained analytically for initial products of two…
We present molecular dynamics simulations on the structural relaxation of a simple bead-spring model for polymer blends. The introduction of a different monomer size induces a large time scale separation for the dynamics of the two…
We consider a thermodynamically consistent model for thermoviscoplasticity. For the related PDE system, coupling the heat equation for the absolute temperature, the momentum balance with viscosity and inertia for the displacement variable,…
Brownian motion and viscoelasticity of semiflexible polymers is a subject that has been studied for many years. Still, rigorous analysis has been hindered due to the difficulty in handling the constraint that polymer chains cannot be…
The Langevin Equation for cooperative dynamics represents the dynamics of polymer melts with chains of increasing degree of polymerization, covering the full range of behavior from the unentangled to the entangled regime. This equation…
Active- and transfer-learning are applied to polymer flows for the multiscale discovery of effective constitutive approximations required in viscoelastic flow simulation. The result is macroscopic rheology directly connected to a…
We present a tensor constitutive model for predicting stress and flow-induced structure formation in dilute wormlike micellar solutions. The micellar solution is treated as a dilute suspension of rigid Brownian rods whose length varies…
We present a Brownian dynamics theory with full hydrodynamics (Stokesian dynamics) for a Gaussian polymer chain embedded in a liquid membrane which is surrounded by bulk solvent and walls. The mobility tensors are derived in Fourier space…
We present a new hydrodynamic model consisting of the pressureless Euler equations and the isentropic compressible Navier-Stokes equations where the coupling of two systems is through the drag force. This coupled system can be derived, in…
We study the long-time behaviour of the temperature-driven compressible flows. We show that numerical solutions of a structure-preserving finite volume method generate a discrete attractor that consists of entire discrete trajectories.…
This paper presents (Lagrangian) variational formulations for single and multicomponent semi-compressible fluids with both reversible (entropy-conserving) and irreversible (entropy-generating) processes. Semi-compressible fluids are useful…
Nonequilibrium molecular dynamics simulations are used to study the deformation behavior of disperse polymer melts by tracking test chains of length N = Mw, the weight average molecular weight, in melts of varying dispersity. At high strain…
Using the Gaussian Ansatz for the monomer-monomer correlation functions we derive a set of the self-consistent equations for determination of the conformational state in the bead-and-spring copolymer model. The latter is based on the…
We investigate extensional viscosity and polymer conformation in dilute polymer solutions under uniaxial extensional flow using dissipative particle dynamics simulations. At high extension rates, polymers are significantly stretched by…
Cytoskeletal filaments are capable of self-assembly in the absence of externally supplied chemical energy, but the rapid turnover rates essential for their biological function require a constant flux of ATP or GTP hydrolysis. The same is…
We report molecular dynamics simulations of a system of repulsive, polymer-tethered colloidal particles. We use an explicit polymer model to explore how the length and the behavior of the polymer (ideal or self-avoiding) affect the ability…
We study a quasi-two-dimensional monolayer of granular rods fluidized by a spatially and temporally homogeneous upflow of air. By tracking the position and orientation of the particles, we characterize the dynamics of the system with…
The role of thermodynamics in continuum mechanics and the derivation of the proper constitutive relations is a discussed subject of Rational Mechanics. The classical literature did not use the accumulated knowledge of thermostatics and was…
We theoretically study the conformational and dynamical properties of semiflexible active polar ring polymers under linear shear flow. A ring is described as a continuous Gaussian polymer with a tangential active force of a constant density…
Using mode-coupling theory, we derive a constitutive equation for the nonlinear rheology of dense colloidal suspensions under arbitrary time-dependent homogeneous flow. Generalizing previous results for simple shear, this allows the full…