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Showing 1 to 8 of 8 for “"Lattice Gas Model"”.
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Phase transition induced deformation in porous media
… the adsorption/desorption processes using a lattice gas model.
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Sorption in disordered porous media
The lattice-gas model of sorption in disordered porous media is studied for a variety of settings, using existing, updated and newly developed numerical techniques. Firstly, we construct an efficient algorithm to calculate the exact partition function for small lattice-gas systems. The exact …
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Lattice gas models and simulations of epitaxial growth
In this PhD thesis, we develop models for the numerical simulation of epitaxial crystal growth, as realized, e.g., in molecular beam epitaxy (MBE). The basic idea is to use a discrete lattice gas representation of the crystal structure, and to apply kinetic Monte Carlo (KMC) simulations for the …
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Grain boundary studies in ordered intermetallic compound Ni3 Al
… molecular statics simulation and two dimensional lattice gas model, were carried out. Both results showed a similar trend of disordering near the grain boundary regardless of grain boundary composition and atomic interaction energy assumptions. However, segregation behavior near grain boundaries …
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Hydrogen in niobium-tantalum superlattices
Hydrogen has been dissolved in Nb/Ta superlattices for which the structural and thermodynamic properties of this new H-metal system were studied, in situ, by x-ray diffraction. It is found that H induces a strain modulation exhibiting a Curie-Weiss type temperature dependence, thus, providing a …
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Analytical and numerical studies of photo-injected charge transport in molecularly-doped polymers
… understand how specific features of the various models developed to describe these systems depend on the microscopic parameters that define them. Specifically, previously published time-of-flight mobility data for the molecularly doped polymer 30% DEH:PC (polycarbonate doped with 30 wt.% aromatic …
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Non-equilibrium dynamics in three-dimensional magnetic spin models and molecular motor-inspired one-dimensional exclusion processes
… of three-dimensional antiferromagnetic lattice spin models with Heisenberg interaction following a critical quench, and a one-dimensional exclusion process inspired by the gear-like motion of molecular motors. In a system of three-dimensional Heisenberg antiferromagnets the non-conserved …
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Development of a collision table for three dimensional lattice gases
A lattice gas is a species of cellular automaton used for numerically simulating fluid flows. TransGas [9], the lattice gas code currently in use at the CSIR, is based on the FHP-I model [5], and is used to perform various two-dimensional flow simulations. In order to broaden the scope of the …