Related papers: Spinodal decomposition in filled polymer blends ex…
Extensions to a $\Lambda$DM model have been explored to face current tensions that occur within its framework, which encompasses broadening the nature of the dark matter (DM) component to include warmness and a non-perfect fluid…
We introduce a model of attractive penetrable spheres by adding a short range attractive square well outside a penetrable core, and we provide a detailed analysis of structural and thermodynamical properties in one dimension using the exact…
The rheological behaviour of a polymer was investigated by performing numerical simulations in complex flow and comparing them to experiments. For our simulations, we employed a Smoothed Particle Hydrodynamics scheme, utilizing an integral…
In conflict with standard notions of thermodynamics, mesoscopically-sized inclusions (``clusters'') of a solute-rich liquid have been observed in equilibrated solutions of proteins and other molecules. According to a complexation scenario…
An analytic derivation of the spinodal of a polydisperse mixture is presented. It holds for fluids whose excess free energy can be accurately described by a function of a few moments of the size distribution. It is shown that one such…
We analyze the properties of the energy landscape of {\it finite-size} fully connected $p$-spin-like models. In the thermodynamic limit the high temperature phase is described by the schematic Mode Coupling Theory of super-cooled liquids.…
In simulations of a water-like model (ST2) that exhibits a liquid-liquid phase transition, we test for the occurrence of a thermodynamic region in which the liquid can be modelled as a two-component mixture. We assign each molecule to one…
Several thermodynamic quantities within the planar $t-J$ model are calculated using the $T>0$ Lanczos method on clusters of up to 26 sites. Hole density $c_h(\mu,T)$ shows a non-Fermi liquid behavior as a function of $T$ and suggests a…
We study the unfolding of a single polymer chain due to an external force. We use a simplified model which allows to perform all calculations in closed form without assuming a Boltzmann-Gibbs form for the equilibrium distribution.…
We discuss the reliability of integral-equation methods based on several commonly used closure relations in determining the phase diagram of coarse-grained models of soft-matter systems characterized by mutually interacting soft and…
A ring polymer in a confining space may exhibit at least two phases, namely an expanded (or solvent-rich phase) if its concentration is small, or a collapsed (or polymer-rich phase) when it is concentrated and compressed. These phases are…
We study the possibility of the spinodal decomposition in the induction period of the polymer crystallization. This phenomenon was first reported in an X-ray scattering experiment, and has still been controversial due to various experiments…
We report a novel multi-scale simulation methodology to quantitatively predict the thermodynamic behaviour of polymer mixtures, that exhibit phases with broken orientational symmetry. Our system consists of a binary mixture of oligomers and…
In this paper we consider the conditions on quasi-thermal-incompressible so that they satisfy all the principles of thermodynamics, including the stability condition associated with the concavity of the chemical potential. We analyze the…
We calculate thermodynamic quantities of HP lattice proteins by means of a multicanonical chain growth algorithm that connects the new variants of the Pruned-Enriched Rosenbluth Method (nPERM) and flat histogram sampling of the entire…
A liquid can exist under conditions of thermodynamic stability or metastability within boundaries defined by the liquid-gas spinodal and the glass transition line. The relationship between these boundaries has been investigated previously…
The surface tension of interacting polymers in a good solvent is calculated theoretically and by computer simulations for a planar wall geometry and for the insertion of a single colloidal hard-sphere. This is achieved for the planar wall…
We present the results of a computer simulation study of thermodynamical properties of TIP4P water confined in a hydrophobic disordered matrix of soft spheres upon supercooling. The hydrogen bond network of water appears preserved in this…
We consider a fluid of $d$-dimensional spherical particles interacting via a pair potential $\phi(r)$ which takes a finite value $\epsilon$ if the two spheres are overlapped ($r<\sigma$) and 0 otherwise. This penetrable-sphere model has…
The direct correlation function of a fluid mixture of parallel hard cubes is obtained by using Rosenfeld's fundamental measure approximation. This approximation is thermodynamically consistent (compressibility and virial equations of state…