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1.
Molecules ; 29(7)2024 Mar 28.
Artigo em Inglês | MEDLINE | ID: mdl-38611792

RESUMO

A monolayer consisting of two types of particles, with energetically favored alternating stripes of the two components, is studied by Monte Carlo simulations and within a mesoscopic theory. We consider a triangular lattice model and assume short-range attraction and long-range repulsion between particles of the same kind, as well as short-range repulsion and long-range attraction for the cross-interaction. The structural evolution of the model upon increasing temperature is studied for equal chemical potentials of the two species. We determine the structure factor, the chemical potential-density isotherms, the specific heat, and the compressibility, and show how these thermodynamic functions are associated with the spontaneous formation of stripes with varying degrees of order.

2.
J Phys Condens Matter ; 34(31)2022 06 10.
Artigo em Inglês | MEDLINE | ID: mdl-35623339

RESUMO

We study the short-time dynamics (STD) of the Vicsek model (VM) with vector noise. The study of STD has proved to be very useful in the determination of the critical point, critical exponents and spinodal points in equilibrium phase transitions. Here we aim is to test its applicability in active systems. We find that, despite the essential non-equilibrium characteristics of the VM (absence of detailed balance, activity), the STD presents qualitatively the same phenomenology as in equilibrium systems. From the STD one can distinguish whether the transition is continuous or discontinuous (which we have checked also computing the Binder cumulant). When the transition is continuous, one can determine the critical point and the critical exponents.


Assuntos
Infecções Sexualmente Transmissíveis , Humanos , Transição de Fase
3.
Phys Rev E ; 99(5-1): 052602, 2019 May.
Artigo em Inglês | MEDLINE | ID: mdl-31212496

RESUMO

We study through numerical simulation the Vicsek model for very low speeds and densities. We consider scalar noise in two and three dimensions and vector noise in three dimensions. We focus on the behavior of the critical noise with density and speed, trying to clarify seemingly contradictory earlier results. We find that, for scalar noise, the critical noise is a power law in both density and speed, but although we confirm the density exponent in two dimensions, we find a speed exponent different from earlier reports (we consider lower speeds than previous studies). On the other hand, for the vector noise case we find that the dependence of the critical noise cannot be separated as a product of power laws in speed and density. Finally, we study the dependence of the relaxation time with speed. At the critical point we find a power law, with the same exponent in two and three dimensions.

4.
J Chem Phys ; 137(11): 114902, 2012 Sep 21.
Artigo em Inglês | MEDLINE | ID: mdl-22998285

RESUMO

We present molecular dynamics study of a generic (coarse-grained) model for single-polymer diffusion confined in a corrugated cylinder. For a narrow tube, i.e., diameter of the cylinder δ < 2.3, the axial diffusion coefficient D(∣∣) scales as D(∣∣) ∝ N(-3∕2), with chain length N, up to N ≈ 100 and then crosses over to Rouse scaling for the larger N values. The N(-3∕2) scaling is due to the large fluctuation of the polymer chain along its fully stretched equilibrium conformation. The stronger scaling, namely N(-3∕2), is not observed for an atomistically smooth tube and/or for a cylinder with larger diameter.


Assuntos
Simulação de Dinâmica Molecular , Polímeros/química , Difusão
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