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Mostrando ítems 1-10 de 15
Tesis Doctoral
Simulación por ordenador de un modelo de cristal líquido dipolar
(1999-07-02)
En esta memoria abordamos el estudio, utilizando simulación en ordenador de la influencia de las interacciones dipolares en la formación y estabilización de fases de cristal líquido. Se ha utilizado el modelo de Gay-Berne, ...
Tesis Doctoral
Estudio de las propiedades interfaciales de cristales líquidos nematicos
(1996)
En el Capítulo 2 presentamos la teoría de campo medio propuestas para el estudio de las propiedades interfaciales de Cl nemáticos. En el siguiente Capítulo presentamos una breve descripción de los métodos de simulación ...
Artículo
Simulation study of the link between molecular association and reentrant miscibility for a mixture of molecules with directional interactions
(American Physical Society, 1999-06-28)
The reentrant liquid-liquid miscibility of a symmetrical mixture with highly directional bonding interactions is studied by Gibbs ensemble Monte Carlo simulation. The resulting closed loop of immiscibility and the corresponding ...
Artículo
Surface-induced alignment at model nematic interfaces
(American Physical Society, 1995)
We have applied the generalized van der Waals theory to a model liquid crystal that includes, explicitly, all of the second-order terms in the spherical harmonic expansion of the anisotropic intermolecular potential. We ...
Tesis Doctoral
Simulación por ordenador de las transiciones de fase en un modelo de cristal líquido
(1991-01)
Se presentan resultados de simulación por ordenador de fluidos gay-berne con parámetros de anisotropía k=3 y k'=5. Usando dinámica molecular en el colectivo nvt, se han identificado las fases fluidas isótropa, neumática y ...
Artículo
Temperature and pressure constraints near the freezing point
(American Institute of Physics Publising LLC, 1991)
The isothermal-isobaric ensemble molecular-dynamics method MD(T,p,N) proposed by Nosé and Hoover is used to study the fluctuations in a two-dimensional Lennard-Jones fluid, close to the freezing point. The T and p constraints ...
Artículo
Computer simulation of vapor-liquid equilibria of linear dipolar fluids: Departures from the principle of corresponding states
(American Institute of Physics, 1995)
Liquid-vapor equilibrium of linear dipolar fluids has been determined by using the Gibbs ensemble simulation technique. Several elongations and values of the dipole moment were considered. Dipole moment increases the ...
Artículo
Location of the Fisher-Widom line for systems interacting through short-ranged potentials
(Physical Review E, 1995)
For finite-ranged potentials the behavior of the total correlation function h (r) at large distances can be of two different types. In three-dimensional systems at low densities the function r h (r) presents exponential decay ...
Artículo
Phase equilibria and critical behavior of square‐well fluids of variable width by Gibbs ensemble Monte Carlo simulation
(American Institute of Physics, 1992)
The vapor–liquid phase equilibria of square†well systems with hard†sphere diameters σ, well†depths ε, and ranges λ=1.25, 1.375, 1.5, 1.75, and 2 are determined by Monte Carlo simulation. The two bulk phases in ...
Artículo
Comment on "Exact results for the lower critical solution in the asymmetric model of an interacting binary mixture"
(American Physical Society, 1997)