The Ground States Diagrams for Adsorption on Nanoclusters, Taking into Account the Interaction of not Nearest Neighbor
Abstract
In connection with the development of nanotechnology and microelectronics, much attention is paid to the study of various adsorption processes. As a rule, adsorption is observed on the surface of a crystal or liquid, but sometimes one-dimensional adsorption takes place. In particular, the question of how the phase distribution passes through adsorption on atomic chains is of particular interest. The paper considers adsorption on an atomic chain of finite size at absolute zero temperatures in the framework of the generalized Ising model. The role of the boundary conditions is fulfilled by the "broken ends" of the atomic chain, which makes it possible to model this physical process on a real chain with free ends. The ground states diagrams are plotted — phase stability diagrams in the coordinate plane of the energy parameters at the absolute zero temperature. This makes it possible to determine possible adsorption transformations and new phases at sufficiently low temperatures. Isotherm of onedimensional adsorption is calculated.
The Delphi programming language has developed a one-dimensional lattice gas model that is tied to the generalized Ising model, taking into account the interaction of the first and second neighbors and the external field. Within the framework of the developed model, adsorption of atoms of one kind on a chain of finite size is considered. The isotherm of one-dimensional adsorption is constructed for absolute zero temperature.
DOI 10.14258/izvasu(2018)4-08
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