Related papers: A Simple Statistical Mechanical Approach for Study…
We study the interfacial adsorption phenomena of the three-state ferromagnetic Potts model on the simple cubic lattice by the Monte Carlo method. Finite-size scaling analyses of the net-adsorption yield the evidence of the phase transition…
Inspired by recent advances in the chromosome capture techniques, a method is proposed to study the structural organization of systems of polymers rings with topological constraints.To this purpose, the system is divided into compartments…
The adsorption of mixtures of charged polymers onto solid surfaces presents a big interest in different technological and industrial fields, and in particular, in cosmetics. This requires to deepen on the most fundamental physico-chemical…
A self-interacting polymer with one end attached to a sticky surface has been studied by means of a flat-histogram stochastic growth algorithm known as FlatPERM. We examined the four-dimensional parameter space of the number of monomers up…
Using extensive Monte Carlo simulations, we investigate the surface adsorption of self-avoiding trails on the triangular lattice with two- and three-body on-site monomer-monomer interactions. In the parameter space of two-body, three-body,…
The long time dynamics of polymeric materials has been extensively studied in the past through various experimental techniques and computer simulations. While computer simulations typically treat generic, simplified models, experiments deal…
Recent research on the fundamentals of statistical mechanics has led to an interesting discovery [1-3]: With locally nonchaotic barriers, as Boltzmann's H-theorem is inapplicable, there exist nontrivial non-thermodynamic systems that can…
We utilize the lattice cluster theory (LCT) of polymer fluids to show that the configurational entropy, enthalpy, and internal energy are all closely interrelated, as suggested by recent measurements by Caruthers and Medvedev, so that the…
We investigate entanglement properties at quantum phase transitions of an integrable extended Hubbard model in the momentum space representation. Two elementary subsystems are recognized: the single mode of an electron, and the pair of…
Adsorption is a relevant process in many fields, such as product manufacturing or pollution remediation in porous materials. Adsorption takes place at the molecular scale, amenable to be modeled by Lagrangian numerical methods. We have…
In this paper we present two new numerical methods for studying thermodynamic quantities of integrable models. As an example of the effectiveness of these two approaches, results from numerical solutions of all sets of Bethe ansatz…
We analyse the nature of the statistics of the work done on or by a quantum many-body system brought out of equilibrium. We show that, for the sudden quench and for an initial state which commutes with the initial Hamiltonian, it is…
Quantifying multipartite entanglement in quantum many-body systems and hybrid quantum computing architectures is a fundamental yet challenging task. In recent years, thermodynamic quantities such as the maximum extractable work from an…
We present fully atomistic Molecular Dynamics simulation results on a main-chain polymer, 1,4-Polybutadiene, in the merging region of the $\alpha$- and $beta$-relaxations. A real space analysis reveals the occurrence of localized motions…
Monte Carlo (MC) simulations and finite-size scaling analysis have been carried out to study the critical behavior in a submonolayer two-dimensional gas of repulsive linear $k$-mers on a triangular lattice at coverage $k/(2k+1)$. A…
In this paper we present an approach for the generalization of adsorption of light gases in porous materials. This new theory goes beyond the Langmuir and BET theories, which are the standard approaches that have limited application to…
Interacting one-dimensional quantum systems play a pivotal role in physics. Exact solutions can be obtained for the homogeneous case using the Bethe ansatz and bosonisation techniques. However, these approaches are not applicable when…
The Wako-Sait{\^o}-Mu\~noz-Eaton (WSME) model, initially introduced in the theory of protein folding, has also been used in modeling the RNA folding and some epitaxial phenomena. The advantage of this model is that it admits exact solution…
We present simulation results for a model polymer melt, consisting of short, nonentangled chains, in the supercooled state. The analysis focuses on the monomer dynamics, which is monitored by the incoherent intermediate scattering function.…
Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior in a submonolayer lattice-gas of interacting monomers adsorbed on one-dimensional channels arranged in a triangular…