Simulation of crystallization and glass formation processes for binary Pd-Ag metal alloys

Kart, HH
Uludogan, M
Cagin, T
Tomak, Mehmet
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 concentration of Ag in Pd-Ag alloys gives rise to glass structure at cooling rate 0.5 K/ps.


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,...
Solid and liquid properties of Pd-Ni metal alloys using quantum Sutton-Chen many-body potential
Kart, SO; Uludogan, M; Cagin, T; Tomak, Mehmet (2003-09-12)
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 quantu...
Simulation of carbon nanotube junction formations
Tasci, E; Malcıoğlu, Osman Barış; Erkoc, S (2003-09-12)
In this work we have examined the possible formation of a junction between two identical C(10,0) carbon nanotubes. One of the tubes was rotated 90 degrees with respect to the other. Simulation have been performed by means of a molecular-dynamics technique at 1K. For this purpose, we have introduced two stiff layers of graphite positioned above and below the nanotubes. By moving these layers we have created an effective force pushing the tubes closer to each other. In this simulation we have used a semi-empi...
Investigation of structural properties of boron carbide nanosystems under mechanical and thermal effects: molecular dynamics simulations
Şimşek, Yusuf; Erkoç, Şakir; Sezgi, Naime Aslı; Department of Micro and Nanotechnology (2014)
Structural properties of various boron-carbide nanosystems with different sizes have been investigated by performing classical molecular dynamics simulation techniques at several temperatures. Studied boron carbide systems are icosahedral nanoribbons and nanosheets, graphene like armchair and zigzag type of monolayer and bilayer boron carbide nanoribbons and nanosheets, armchair and zigzag type of boron carbide nanotubes, cubic form nanorods and nanosheets. Stillinger-Weber potential energy function paramet...
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.
Citation Formats
H. Kart, M. Uludogan, T. Cagin, and M. Tomak, “Simulation of crystallization and glass formation processes for binary Pd-Ag metal alloys,” 2003, vol. 169, Accessed: 00, 2020. [Online]. Available: