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Model of Cubic Cell for Description of Some Phase Transitions in Crystals

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DOI: 10.4236/wjcmp.2018.84011    171 Downloads   295 Views

ABSTRACT

The purpose of the research is to develop a dynamical theory of phase transitions in crystalline structures, when except for temperature, the pressure is acting. So, the phase diagram temperature-pressure (dimensions) must be constructed. In general case, it is a complicated question, which can be solved for simple models of crystal, as three atomic models, introduced in the work of Frenkel [1]. In this model, three identical atoms are placed on the straight line and interact with the forces, which can be described by the expression, given in the article of Lennard-Jones [2]. Such simple model may have success, when the crystalline structure is simple, which consists of one type of atoms, for example: carbon. The model was generalized to cubic cell model with a moving atom in the inner part of the cell. The rigorous calculation of phase diagram for transition graphite-diamond shows some similarity with results of numerous experimental investigations (which are not discussed here). So, the way of phase diagram calculation may attract attention.

Cite this paper

Kozlovskiy, V. (2018) Model of Cubic Cell for Description of Some Phase Transitions in Crystals. World Journal of Condensed Matter Physics, 8, 162-170. doi: 10.4236/wjcmp.2018.84011.

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