Related papers: Spinodal decomposition in filled polymer blends ex…

We define a lattice model for the interaction of a polymer with water. We solve the model in a suitable approximation. In the case of a non-polar homopolymer, for reasonable values of the parameters, the polymer is found in a non-compact…

We re-explore the kinetics of spinodal decomposition in off-critical polymer blends through numerical simulations of the Cahn-Hilliard equation with the Flory-Huggins-De Gennes free energy functional. Even in the absence of thermal noise,…

Polymer systems in slab geometries are studied on the basis of the recently presented Gaussian Ellipsoid Model [J. Chem. Phys. 114, 7655 (2001)].The potential of the confining walls has an exponential shape. For homogeneous systems in…

Silicon carbide is a hard, semiconducting material presenting many polytypes, whose behavior under extreme conditions of pressure and temperature has attracted large interest. Here we study the mechanical properties of 3C-SiC over a wide…

We consider a fully directed self-avoiding walk model on a cubic lattice to mimic the conformations of an infinitely long confined flexible polymer chain; and the confinement condition is achieved by two parallel athermal plates. The…

A simple expression for the composition dependence of the Flory-Huggins interaction parameter of polymer/solvent systems reported earlier is used to model the demixing of polymer solutions into two liquid phases. To this end the system…

By means of parallel tempering Monte Carlo simulations we find strong evidence for a finite-temperature spin-glass transition in a system of diluted classical Heisenberg dipoles randomly placed on the sites of a simple cubic lattice. We…

Complex free-energy landscapes with many local minima separated by large barriers are believed to underlie glassy behavior across diverse physical systems. This is the heuristic picture associated with replica symmetry breaking (RSB) in…

Recently, a method has been proposed to obtain accurate predictions for low-temperature properties of lattice spin glasses that is practical even above the upper critical dimension, $d_c=6$. This method is based on the observation that…

Spinodal decomposition can improve a number of essential properties in materials, especially hardness. Yet, the theoretical prediction of the onset of this phenomenon (e.g., temperature) and its microstructure (e.g., wavelength) often…

We employ the numerical linked-cluster expansion to study finite-temperature properties of the uniform cubic lattice Hubbard model in the thermodynamic limit for a wide range of interaction strengths and densities. We carry out the…

We develop a series of molecular dynamics computer simulations of liquid water, performed with a polarizable potential model, to calculate the spinodal line and the curve of maximum density inside the metastable supercooled region. After…

We write exact equations for the thermodynamic properties of a linear polymer molecule confined to walk on a lattice of finite size. The dimension of the space in which the lattice resides can be arbitrary. We also calculate polymer…

Concentrated aqueous solutions of the protein lysozyme undergo a liquid solid transition upon a temperature quench into the unstable spinodal region below a characteristic arrest temperature of Tf=15C. We use video microscopy and…

Colloid-polymer mixtures can undergo spinodal decomposition into colloid-rich and colloid-poor regions. Gelation results when interconnected colloid-rich regions solidify. We show that this occurs when these regions undergo a glass…

The finite-temperature density-matrix renormalization-group method is applied to the one-dimensional Kondo lattice model near half filling to study its thermodynamics. The spin and charge susceptibilities and entropy are calculated down to…

We report on quantitative comparisons between simulation results of a bead-spring model and mode-coupling theory calculations for the structural and conformational dynamics of a supercooled, unentangled polymer melt. We find…

The study deals with the Payne effect (a substantial decrease in the storage modulus of a particle-reinforced elastomer with an increase in the amplitude of mechanical oscillations). The influence of temperature, concentration of filler and…

In this thesis, we develop a simple model potential for polar molecules that effectively and accurately represents the thermodynamics of dilute gases. This potential models dipolar interactions, with a nonpolar spherical component, as seen…

We apply recently developed smooth boundary conditions to the quantum Monte Carlo simulation of the two-dimensional Hubbard model. At half-filling, where there is no sign problem, we show that the thermodynamic limit is reached more rapidly…