Molecular dynamics investigation of physical properties for solid phase Pd0.085Cu0.44Ag0.475 alloy

Key Words: Molecular dynamics, Quantum Sutton-Chen potential, alloys ve noble metals. The physical properties of palladium (Pd), copper (Cu) and silver (Ag) and the alloys in different concentrations of these metals (Pd0.085Cu0.44Ag0.475, Pd 0.25Cu0.75 ) are studied in solid phase are studied by using Quantum Sutton-Chen (Q-SC) force field and molecular dynamics simulation method. Binary and ternary metal alloys, Pd 0.25Cu0.75 and Pd0.085Cu0.44Ag0.475 are investigated. Validity of Quantum Sutton-Chen (Q-SC) potential and Rafii-Tabar sum rules for ternary alloys are discussed. Temperature dependeht behaviors of metals and alloys are also discussed. The endustrial and scientific importance of metals and metal alloys investigated are the subject of the first chapter. Second chapter includes the specifications of the simulation program and molecular dynamics method. Section three presents the interatomic potential, namely Quantum Sutton-Chen (Q-SC), parametrization. The results and dicussion section is the fourth section. The results produced by simulation is compared the published experimental and theoretical literature data in the fourth section too.