Monte-Carlo simulation of `commensurate' and `incommensurate' structures in an `adsorbent-adsorbate' system

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Natl Acad of Science of Ukraine, Kiev, Ukraine [1 ]
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Surf Invest X Ray Synchrotron Neutron Techniq | / 2卷 / 139-156期
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Adsorbents - Computer simulation - Crystal lattices - Interfaces (materials) - Monte Carlo methods - Order disorder transitions - Substrates;
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摘要：
Commensurate and incommensurate structures in the `adsorbent-adsorbate' system were investigated by Monte-Carlo simulation (in a one-dimensional system). The structures with different short-range and long-range order were obtained. A special region of disordered (chaotic) structure was found on the correlation functions between these ranges. Two scenarios (`soliton scenario' and `non-soliton scenario') of structure evolution were observed. These scenarios are determined by the relationship between the linear parameters of potentials of lateral interaction between adspecies and the interaction of adspecies with the crystal substrate. The influence of surface concentration on the surface structures was analyzed. Special features of commensurate structure in the range of intermediate surface concentration were found.
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