J. Davoodi and J. Moradi
Temperature Effect on the Mechanical Properties of Pd3Rh and PdRh3 Ordered Alloys
1029 - 1033
2011
5
6
International Journal of Nuclear and Quantum Engineering
https://publications.waset.org/pdf/15862
https://publications.waset.org/vol/54
World Academy of Science, Engineering and Technology
The aim of this research was to calculate the
mechanical properties of Pd3Rh and PdRh3 ordered alloys. The
molecular dynamics (MD) simulation technique was used to obtain
temperature dependence of the energy, the Yong modulus, the shear
modulus, the bulk modulus, Poissons ratio and the elastic stiffness
constants at the isobaricisothermal (NPT) ensemble in the range of
100325 K. The interatomic potential energy and force on atoms were
calculated by Quantum SuttonChen (QSC) many body potential.
Our MD simulation results show the effect of temperature on the
cohesive energy and mechanical properties of Pd3Rh as well as
PdRh3 alloys. Our computed results show good agreement with the
experimental results where they have been available.
Open Science Index 54, 2011