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Full-Text Articles in Physical Sciences and Mathematics
Molecular Dynamics Study Of Thermal Properties Of Intermetallic Alloys, H. H. Kart, Mehmet Tomak, Tahi̇r Çağin
Molecular Dynamics Study Of Thermal Properties Of Intermetallic Alloys, H. H. Kart, Mehmet Tomak, Tahi̇r Çağin
Turkish Journal of Physics
Molecular dynamics simulations of bulk copper, gold pure metals and their ordered intermetallics alloys of Cu_3Au(L1_2) and CuAu_3(L1_2) have been carried out between above 0 K and below the their melting points of the materials for predicting their temperature-dependent thermophysical properties. The effects of temperature and concentration on the physical properties such as enthalpy, volume, heat capacity, thermal expansion and density of Cu_xAu_{1-x} are studied. Especially, temperature-dependent polynomial functions of enthalpy, volume and density are obtained. Sutton-Chen (SC) and Quantum Sutton-Chen (Q-SC) many-body potentials are used in the constant enthalpy-constant pressure ensemble (HPN) and constant pressure-constant temperature ensemble (TPN). Three …
Molecular Dynamics Studies On Glass Formation Of Pd-Ni Alloys By Rapid Quenching, Sevgi̇ Özdemi̇r Kart, Mehmet Tomak, Mustafa Uludoğan, Tahi̇r Çağin
Molecular Dynamics Studies On Glass Formation Of Pd-Ni Alloys By Rapid Quenching, Sevgi̇ Özdemi̇r Kart, Mehmet Tomak, Mustafa Uludoğan, Tahi̇r Çağin
Turkish Journal of Physics
The rapid solidification of Pd-Ni alloys is studied with the constant-pressure and constant-temperature (TPN) and the constant-volume and constant-temperature (TVN) molecular dynamics technique to obtain an atomic description of glass formation in the alloy. Quantum Sutton-Chen potential for Pd-Ni binary system is applied in the simulations. We present some thermodynamic and structural results from simulations of such glasses over a range of compositions. The structural properties are analyzed by means of pair distribution function, volume, and enthalpy as a function of temperature and concentration at the cooling rates ranging from 5 K/ps to 0.05 K/ps to see whether the Pd-Ni …