Related papers: Simple generic picture of toughness in solid polym…
A lattice model is presented for the simulation of dynamics in polymeric systems. Each polymer is represented as a chain of monomers, residing on a sequence of nearest-neighbor sites of a face-centered-cubic lattice. The polymers are self-…
Collective Thomson scattering (CTS) in a beam-plasma system is reproduced by using 2D PIC simulations and the characteristics of the scattered wave spectrum are examined. By formulating the geometric shape of the scattered wave spectrum in…
An extension of the Asakura-Oosawa-Vrij model of hard sphere colloids and non-adsorbing polymers, that takes polymer non-ideality into account through a repulsive stepfunction pair potential between polymers, is studied with grand canonical…
The usefulness of glasses, and particularly of metallic glasses, in technological applications is often limited by their toughness, which is defined as the area under the stress vs. strain curve before plastic yielding. Recently toughness…
We propose a field-theoretical approach to a polymer system immersed in an ideal mixture of clustering centers. The system contains several species of these clustering centers with different functionality, each of which connects a fixed…
Heavy particles suspended in a turbulent flow settle faster than in a still fluid. This effect stems from a preferential sampling of the regions where the fluid flows downward and is quantified here as a function of the level of turbulence,…
The adhesion between a polymer melt and substrate is studied in the presence of chemically attached chains on the substrate surface. Extensive molecular dynamics simulations have been carried out to study the effect of temperature, tethered…
The addition of minute amounts of chemically inert polyacrylamide polymer to liquids results in large instabilities under steady electro-osmotic pumping through 2:1 constrictions, demonstrating that laminar flow conditions can be broken in…
Self-assembly in natural and synthetic molecular systems can create complex aggregates or materials whose properties and functionality rises from their internal structure and molecular arrangement. The key microscopic features that control…
The mechanical response of solids depends on temperature because the way atoms and molecules respond collectively to deformation is affected at various levels by thermal motion. This is a fundamental problem of solid state science and plays…
The yielding of foams, concentrated emulsions, pastes and other soft materials under applied strain is often characterized by measuring the complex shear modulus as a function of strain amplitude at low frequency. Results obtained for…
We use three-dimensional direct numerical simulations of homogeneous isotropic turbulence in a cubic domain to investigate the dynamics of heavy, chiral, finite-size inertial particles and their effects on the flow. Using an…
The rheology of a dilute binary mixture of inertial suspension under simple shear flow is analyzed in the context of the Boltzmann kinetic equation. The effect of the surrounding viscous gas on the solid particles is accounted for by means…
In this work, we develop a framework for atomistic modeling of electronic polarizability to predict the Raman spectra of hydrogen-bonded clusters and liquids from molecular dynamics (MD) simulations. The total polarizability of the system…
We propose a model to describe the concentration dependence of the viscosity of soft particles. We incorporate in a very simple way the softness of the particles into expressions originally developed for rigid spheres. This is done by…
Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…
The coupled dynamics of entangled polymers which span a broad time and length scales govern the unique viscoelastic properties of polymers. To follow chain mobility by numerical simulations from the intermediate Rouse and reptation regimes…
Spherical symmetry is ubiquitous in nature. It's therefore unfortunate that spherical system simulations are so hard, and require complete spheres with millions of interacting particles. Here we introduce an approach to model spherical…
Via large-scale molecular dynamics simulations, we observe the melting of a topological glass of stiff ring polymers by incorporating flexible ring polymers, along an isobaric path. As more flexible ring polymers are introduced, cluster…
The aim of this paper is to propose a new numerical model to simulate 2D vesicles interacting with a newtonian fluid. The inextensible membrane is modeled by a chain of circular rigid particles which are maintained in cohesion by using two…