Abstract: 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, Poisson-s ratio and the elastic stiffness
constants at the isobaric-isothermal (NPT) ensemble in the range of
100-325 K. The interatomic potential energy and force on atoms were
calculated by Quantum Sutton-Chen (Q-SC) 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.