STRUCTURAL PHASE TRANSITIONS AND ELASTIC STABILITY WITH EMBEDDED ATOM METHOD


Thesis Type: Postgraduate

Institution Of The Thesis: Gazi University, Fen Bilimleri Enstitüsü, Turkey

Approval Date: 2007

Thesis Language: Turkish

Student: Rahime YİĞİTER

Supervisor: YASEMİN ÇİFTCİ

Abstract:

In this study, the elastic and mechanic properties of the some f.c.c. crystals (Ir, Sr, Rh, Ca, Pb) by using many body potential energy function in the framework of Embedded Atom Method (EAM). The calculations of stability and phase transitions are worked out by using EAM potential model. In this section, the variation of energy, stress and elastic moduli with respect to the lattice parameter (a1 ) are studied. By means of the obtained curves, the lattice parameters, atomic volume, cohesive energy and the difference of energies (Efcc - Ebcc) are computed and regions of stability are studied. In section four, the third order elastic constants based on the EAM model are computed. In section five, pressure-volume behaviours are studied and the obtained results are compared with experimental data.