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1994 (1)
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1Author    S. Sh, Soulayman, C. Ch, Ch Marti, Ch, GuilpinRequires cookie*
 Title    Anharmonic Self-Consistent Theory of Crystals. I. A 1 d Quartic Crystal Model  
 Abstract    We apply the Unsymmetrized Self-Consistent-Field-Method (USCFM) to a linear infinite chain of identical atoms with a quartic pair interaction potential. We show that an exact solution of the USCFM can be found in terms of a single auxiliary function which is studied here in details. We use it to calculate the partition function, the energy and the free energy, the moments of the position, the corrections due to quantum effects and higher terms of the potential, the specific heat and the thermal expansion. An anharmonic approximative approach, based on the self-consistent potential of the used method, is developed also. We apply these two approaches to the study of the thermo-elastic properties of a one dimensional system (krypton). It is demonstrated that the approximate approach is very effective when dealing with pairwise potentials of positive second derivative. The Lennard-Jones potential is used in our calculations. 
  Reference    Z. Naturforsch. 48a, 1182—1192 (1993); received December 18 1992 
  Published    1993 
  Keywords    Linear chain, Anharmonicity, Thermodynamic properties, Inert gases 
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 TEI-XML for    default:Reihe_A/48/ZNA-1993-48a-1182.pdf 
 Identifier    ZNA-1993-48a-1182 
 Volume    48 
2Author    S. Sh, A. Soulayman, HarfoushRequires cookie*
 Abstract    a lc u la tio n o f th e M e ltin g C u rv e s o f s o m e A lk a li-h a lid e s w ith C s C l S tr u c tu r e a n d th e ir T h e r m o d y n a m ic P r o p e r tie s a lo n g th e s e C u rv e s The paper presents a study of three semi-empirical laws of melting. The study utilises the Im­ proved Unsymmetrized Self-Consistent Field Method (IUSCFM) for strongly anharmonic crystals with complex lattice and the energy criterion in calculating the melting curves of some alkali-halides. The energy criterion was proven correct along the melting curves particularly in the case of CsCl type of structure. The calculations of the melting curves for crystals of nine alkali-halides (KCl, KBr, KI, RbCl, RbBr, Rbl, CsCl, CsBr, Csl) are presented. The thermodynamic properties of these salts along the curves are also determined. A comparison of the calculated results and the experimental data is included. 
  Reference    Z. Naturforsch. 44a, 513—518 (1989); received October 27 1988 
  Published    1989 
  Keywords    Melting curves, Alkali-halides, Thermodynamic properties, Energy criterion, CsCl structure 
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 TEI-XML for    default:Reihe_A/44/ZNA-1989-44a-0513.pdf 
 Identifier    ZNA-1989-44a-0513 
 Volume    44 
3Author    S. Sh, Soulayman, C. M. Ch, Ch Arti, Ch, GuilpinRequires cookie*
 Title    Anharmonic Self-Consistent Theory of Crystals. II. The 2d and 3d Quartic Crystal Models  
 Abstract    In this paper we apply the method developed in part I for describing the crystalline state of two and three dimensional inert gases. For strong anharm onicity of fourth order, the equations of state of these gases are obtained. This way we calculate the thermoelastic properties of two and three dimensional argon, krypton and xenon using the Lennard-Jones potential. The corrections to the Helmholtz free energy and thermodynamic properties due to quantum effects are considered. The results are compared with the available experimental data. 
  Reference    Z. Naturforsch. 49a, 663—670 (1994); received December 18 1993 
  Published    1994 
  Keywords    Inert gases, Anharmonicity, Thermodynamic properties, Two-and three-dimensional crystals 
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 TEI-XML for    default:Reihe_A/49/ZNA-1994-49a-0663.pdf 
 Identifier    ZNA-1994-49a-0663 
 Volume    49