Solid and liquid properties of Pd-Ni metal alloys using quantum Sutton-Chen many-body potential

Date

2003-09-12

Author

Kart, SO
Uludogan, M
Cagin, T
Tomak, Mehmet

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

231
views

0
downloads

The performance of the quantum Sutton-Chen many body potential on the solid and liquid properties of Pd-Ni fcc transition metal alloys is investigated by molecular dynamics simulations. Elastic constants, phonon dispersion relations and diffusion coefficients are studied. The melting temperatures of Pd-Ni alloys are predicted. The transferability of the potential is also tested by simulating the liquid state. Comparison of the molecular dynamics results with available experimental data shows that the quantum Sutton-Chen potential gives a reasonable description of the solid and liquid properties of alloys considered, in spite of having been parameterized on the experimental data of pure metals at solid phase.

Subject Keywords

Quantum Sutton-Chen potential, Elastic constant, Phonon dispersion, Diffusion coefficient

URI

https://hdl.handle.net/11511/52976

Conference Name

Conference of the NATO-Advanced-Study-Institute on Nanoengineered Nanofibrous Materials

Collections

Department of Physics, Conference / Seminar

Suggestions

OpenMETU
Core

Thermodynamical and mechanical properties of Pd-Ag alloys Kart, HH; Tomak, Mehmet; Uludogan, M; Cagin, T (2005-01-01) The mechanical and thermodynamical properties of Pd, Ag pure metals and especially PdxAg1-x alloys are studied by using the molecular dynamics simulation. The effects of temperature and concentration on the physical properties of PdxAg1-x are analyzed. Sutton-Chen (SC) and quantum Sutton-Chen (Q-SC) many-body potentials are used as interatomic interactions which enable one to investigate the thermodynamic, static, and dynamical properties of transition metals. The calculated results such as cohesive energy,...
Simulation of crystallization and glass formation processes for binary Pd-Ag metal alloys Kart, HH; Uludogan, M; Cagin, T; Tomak, Mehmet (2003-09-12) Glass formation and crystallization process of Pd-Ag metallic alloys are investigated by means of molecular dynamics simulation. This simulation uses the quantum Sutton-Chen (Q-SC) potential to study structural and transport properties of Pd-Ag alloys. Cooling rates and concentration effects on the glass formation and crystallization of binary alloys considered in this work are investigated. Pd-Ag alloys show the glass structure at fast cooling rates while it crystallizes at slow cooling rates. Increment of...
Liquid properties of Pd-Ni alloys Kart, SO; Tomak, Mehmet; Uludogan, M; Cagin, T (2004-07-01) Liquid properties of Pd-Ni metal alloys are computed by molecular dynamics (MD) simulation with the use of quantum SuttonChen potential (Q-SC) model. The thermodynamical, structural, and transport properties of the alloy are investigated. The melting temperatures for Pd-Ni system are predicted. The temperature and concentration dependence of diffusion coefficient and viscosity are reported. The transferability of the potential is tested by simulating the liquid state. The values of melting point are in exce...
Mechanical properties of CdZnTe nanowires under uniaxial stretching and compression: A molecular dynamics simulation study Kurban, Mustafa; Erkoç, Şakir (2016-09-01) Structural and mechanical properties of ternary CdZnTe nanowires have been investigated by performing molecular dynamics simulations using an atomistic potential. The simulation procedures are carried out as uniaxial stretching and compression at 1 K and 300 K. The results demonstrate that the mechanical properties of CdZnTe ternary nanowires show significantly a dependence on size and temperature under uniaxial stretching and compression.
Comparison of multi-cavity arrays for on-chip WDM applications Erdinç, Havva; Kocaman, Serdar; Department of Electrical and Electronics Engineering (2019) Researches about the interaction of single atoms with electromagnetic field create the foundation of cavity quantum electrodynamics (CQED) technology. Microlasers, photon bandgap structures and quantum dot structures in cavities are the initial examples of Cavity Quantum Electrodynamics. This thesis is focused on the comparison of multi-cavity arrays for on-chip wavelength division multiplexing (WDM) applications in the weak coupling regime. Firstly, single QD embedded cavity (cavity QD EIT) and cavity-cavi...

Citation Formats

S. Kart, M. Uludogan, T. Cagin, and M. Tomak, “Solid and liquid properties of Pd-Ni metal alloys using quantum Sutton-Chen many-body potential,” Belek-Antalya, TURKEY, 2003, vol. 169, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/52976.