The investigation of the temparature and pressure dependent behaviours of some thermo-elastic properties of platinum and iridium by molecular dynamics methods

THE INVESTIGATION OF THE TEMPARATURE AND PRESSUREDEPENDENT BEHAVIOURS OF SOME THERMO-ELASTIC PROPERTIESOF PLATINUM AND IRIDIUM BY MOLECULAR DYNAMICS METHODS(M.Sc. Thesis)Gülen FERAHGAZI UNIVERSITYINSTITUTE OF SCIENCE AND TECHNOLOGYJanuary 2006ABSTRACTIn this work, some thermo-elastic properties of Iridium and Platinium arecalculated by using the Embedded Atom Method (EAM). For both elements, atdifferent temperatures and pressures, the cohesive energies, melting points,bulk moduli, heat capacities, linear-thermal expansion coefficients and elasticconstants are calculated using various methods. The obtained results arecompared with the available experimental datas. The present potential functionpredicts, quite well, these properties for Iridium and PlatiniumScience Code : 202.1.073Key Words : Molecular Dynamics, Platinium, Iridium, Embedded AtomMethodPage Number : 100Adviser : Prof. Dr. Kemal ÇOLAKOĞLU