Molecular dynamics study of Cu-Pd ordered alloys

• Autorzy: Özdemir Kart S. , Erbay A. , Kiliç H. , Cagin T. , Tomak M.
• Języki publikacji: EN

Abstrakty

EN

Purpose: The goal of the paper is to study the molecular dynamics of Cu-Pd ordered alloys. Design/methodology/approach: The thermal and mechanical properties of Cu, Pd pure metals and their ordered intermetallic alloys of Cu3Pd(L12) and CuPd3(L12) are studied by using the molecular dynamics simulation. The melting behavior of the metals considered in this work is studied by utilizing quantum Sutton-Chen (Q-SC) many-body potential. The effects of temperature and concentration on the physical properties of Cu-Pd system are analyzed. Findings: A wide range of properties of Cu, Pd pure metals and their Cu3Pd and CuPd3 ordered intermetallics is presented. It was found that this potential is suitable to give the general characteristics of the melting process in these systems. Practical implications: The simulation results such as cohesive energy, density, elastic constants, bulk modulus, heat capacity, thermal expansion and melting points are in good agreement with the available experimental data and other theoretical calculations. Originality/value: To the best our knowledge this work presents, for the first time, a wide range of physical properties of alloys focusing on Cu-Pd ordered compounds.

Słowa kluczowe

EN

Cu-based intermetallic alloys; molecular dynamics simulations; Quantum Sutton-Chen potentials; melting properties

PL

własności topnienia; dynamika molekularna

• Wydawca: International OCSCO World Press
• Czasopismo: Journal of Achievements in Materials and Manufacturing Engineering
• Rocznik: 2008
• Tom: Vol. 31, nr 1
• Strony: 41--46
• Opis fizyczny: Bibliogr. 47 poz., tab., wykr.

Twórcy

autor

Özdemir Kart S.

autor

Erbay A.

autor

Kiliç H.

autor

Cagin T.

autor

Tomak M.

• Department of Physics, Pamukkale University, 20020 Denizli, Turkeyb Department of Chemical Engineering, Texas A&M University, TX77845-3122 Texas, USAc Department of Physics, Middle East Technical University, 06531 Ankara, Turkey,

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