Related papers: Low-entangled UHMWPE melt: analytical model and co…
We investigate the connection between the entanglement entropy in scattering processes and the dynamics of electroweak phase transitions. Recent work has shown that the scattering entanglement entropy can provide new insight into Standard…
The effect of melting in planetary mantles plays a key role in their thermo-chemical evolution. Because of the laterally heterogeneous nature of melting, 3D numerical simulations are in principle necessary prohibiting us from exploring wide…
We develop a new analytic approach for the study of lattice heteropolymers, and apply it to copolymers with correlated Markovian sequences. According to our analysis, heteropolymers present three different dense phases depending upon the…
We present Molecular Dynamics simulations of the thermal glass transition in a dense model polymer liquid. We performed a comparative study of both constant volume and constant pressure cooling of the polymer melt. Great emphasis was laid…
From extensive Monte Carlo simulations of a Larson model of perfectly periodic heteropolymers (PHP) in water a striking stiffening is observed as the period of the alternating hydrophobic and hydrophilic blocks is shortened. At short period…
Suspensions of swimming particles exhibit complex collective behaviors driven by hydrodynamic interactions, showing persistent large-scale flows and long-range correlations. While heavily studied, it remains unclear how such structures…
The state space of a polymer molecule is analysed. We show how the size of the state space can be reduced on the basis of symmetry. In the reduced state space, the probability of a new state (termed below as class) is equal to the number of…
This study is devoted to the long-term behavior of nucleation, growth and fragmentation equations, modeling the spontaneous formation and kinetics of large polymers in a spatially homogeneous and closed environment. Such models are, for…
The dynamics of polymer melts at the crossover between unentagled and entangled regimes is formalized here through an extension of the Cooperative Dynamics Generalized Langevin Equation (CDGLE) (\textit{J. Chem. Phys.} 110,7574 (1999)), by…
In this paper we review some recent results, obtained jointly with Stu Whittington, for a mathematical model describing a copolymer in an emulsion. The copolymer consists of hydrophobic and hydrophilic monomers, concatenated randomly with…
Several methods for preparing well equilibrated melts of long chains polymers are studied. We show that the standard method in which one starts with an ensemble of chains with the correct end-to-end distance arranged randomly in the…
We model the flow behaviour of dense melts of flexible and semiflexible ring polymers in the presence of walls using a hybrid multiscale approach. Specifically, we perform molecular dynamics simulations and apply the Irving-Kirkwood formula…
The simulation of high-rate deformation and failure of metals is has traditionally been performed using Lagrangian finite element methods or Eulerian hydrocodes. Lagrangian mesh-based methods are limited by issues involving mesh…
We have mapped the physics of polymer melts onto a time-dependent Landau-Ginzburg $|\psi|^4$ field theory using techniques of functional integration. Time in the theory is simply a label for the location of a given monomer along the extent…
An off-lattice Monte Carlo algorithm for solutions of equilibrium polymers (EP) is proposed. At low and moderate densities this is shown to reproduce faithfully the (static) properties found recently for flexible linear EP using a lattice…
We investigate entanglement dynamics in bipartite systems governed by inhomogeneous Hamiltonians of the form $H = H_L + H_R$, where $H_{L/R}$ acts only on the left or right region and is homogeneous within each region. Focusing on the XX…
We propose a measurement-based method to produce a maximally-entangled state from a partially-entangled pure state. Our goal can be thought of as entanglement distillation from a single copy of a partially-entangled state. The present…
To predict flow behavior of entangled polymer melt, we have developed multiscale simulation composed of Lagrangian fluid particle simulation and coarse-grained polymer dynamics simulation. We have introduced a particle deformation in the…
A mode-coupling theory for dense polymeric systems is developed which unifyingly incorporates the segmental cage effect relevant for structural slowing down and polymer chain conformational degrees of freedom. An ideal glass transition of…
In this work, we explore physical systems which support not only multipartite interparticle entanglement, but also intraparticle entanglement between different degrees of freedom of the constituent particles and entanglement between…