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Автор H Evans
Автор D J Tildesley
Автор T J Sluckin
Дата выпуска 1984-09-30
dc.description Monte Carlo calculations of the herring-bone ordering phase transition of N<sub>2</sub> adsorbed on graphite have been performed for a variety of boundary conditions. The model consists of a rigid lattice of two-dimensional quadrupoles and for a small infinitely periodic system (PBC), a first-order phase transition is found, in agreement with previous work. For weak boundary conditions (WBC) the transition temperature is reduced and the transition remains first order. For strong boundary conditions (SBC) the transition is continuous. There is little residual ordering above the phase transition for the SBC and WBC transitions. The presence of weak and strong boundaries causes a film of adsorbed phase of thickness theta against the one-dimensional wall. ln theta is linear with temperature. A simple mean-field theory accounts for the qualitative behaviour of the boundary effects.
Формат application.pdf
Издатель Institute of Physics Publishing
Название Boundary effects in the orientational ordering of adsorbed nitrogen
Тип paper
DOI 10.1088/0022-3719/17/27/020
Print ISSN 0022-3719
Журнал Journal of Physics C: Solid State Physics
Том 17
Первая страница 4907
Последняя страница 4926
Аффилиация H Evans; Dept. of Chem., Southampton Univ., Southampton, UK
Аффилиация D J Tildesley; Dept. of Chem., Southampton Univ., Southampton, UK
Аффилиация T J Sluckin; Dept. of Chem., Southampton Univ., Southampton, UK
Выпуск 27

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