Related papers: Spinodal decomposition in filled polymer blends ex…
Thermodynamic multi-component solution solidification approach to liquid-to-glass transition is proposed and actual mechanisms underlying vitrification, other than viscous slowdown, are identified. Due to polydisperse aggregation in liquid…
We estimate the plateau moduli of highly entangled end-pinned bead-spring polymer melts with Z = 100 and Z = 200 from the time-dependent elastic response to a step strain, which we first extrapolate to infinite time and then interpolate to…
Abstract polymer models are systems of weighted objects, called polymers, equipped with an incompatibility relation. An important quantity associated with such models is the partition function, which is the weighted sum over all sets of…
Explicit expressions, for efficient application in engineering practice, are derived for generalized displacements and stresses in simply supported multi-layered wide plates and beams subjected to steady-state thermal and mechanical…
The mechanical response of cellular materials with spinodal topologies is numerically and experimentally investigated. Spinodal microstructures are generated by the numerical solution of the Cahn-Hilliard equation. Two different topologies…
Molecular dynamics simulations of a Lennard-Jones binary mixture confined in a disordered array of soft spheres are presented. The single particle dynamical behavior of the glass former is examined upon supercooling. Predictions of mode…
Implementation of an outlet boundary condition is challenging in the context of the weakly-compressible Smoothed Particle Hydrodynamics method. We perform a systematic numerical study of several of the available techniques for the outlet…
A quasi 2-dimensional recursive lattice formed by planar elements have been designed to investigate the surface thermodynamics of Ising spin glass system with the aim to study the metastability of supercooled liquids and the ideal glass…
The properties of semidilute polymer solutions are investigated at equilibrium and under shear flow by mesoscale simulations, which combine molecular dynamics simulations and the multiparticle collision dynamics approach. In semidilute…
Solutions of semiflexible polymers confined by repulsive planar walls are studied by density functional theory and Molecular Dynamics simulations, to clarify the competition between the chain alignment favored by the wall and the depletion…
To study the cooling behavior and the glass transition of polymer melts in bulk and with free surfaces a coarse-grained weakly semi-flexible polymer model is developed. Based on a standard bead spring model with purely repulsive…
We investigate a lattice-fluid model of water, defined on a three-dimensional body centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms, aiming to mimic the formation of hydrogen bonds.…
We use numerical linked cluster expansions to study thermodynamic properties of the two-dimensional spin-1/2 Ising, XY, and Heisenberg models with bimodal random-bond disorder on the square and honeycomb lattices. In all cases, the…
We provide new sufficient conditions for subcriticality of classical and quantum spin lattice systems, formulated in terms of the uniqueness of Kubo-Martin-Schwinger (KMS) states. This is achieved by exploiting a non-commutative analog of…
(abbreviated) This article considers recent advances in the investigation of the thermal and magnetic properties of integrable spin ladder models and their applicability to the physics of real compounds. The ground state properties of the…
Purpose - This paper presents a first step toward developing a comprehensive methodology for fully resolved numerical simulations of fusion deposition modeling. Design/methodology/approach - A front-tracking/finite volume method previously…
In this work, we revisit the thermodynamical self-consistency of the quasiparticle model with the finite baryon chemical potential adjusted to lattice QCD calculations. Here, we investigate the possibility that the effective quasiparticle…
A re-entrant gas-liquid spinodal was proposed as a possible explanation of the apparent divergence of the compressibility and specific heat on supercooling water. Such a counter intuitive possibility, e.g. a liquid that becomes unstable to…
The particles on demand (PonD) method is a new kinetic theory model that allows for simulation of high speed compressible flows. While standard Lattice-Boltzmann is limited by a fixed reference frame, significantly reducing the range of…
We use replica exchange Monte-Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte-Carlo simulations do not easily…