Abstract—The aim of this research was to calculate Yong modulus, Bulk modulus and the elastic constants of Rh-20at%Pd (atom percent) nanowire. The molecular dynamics simulation technique was used to calculate the mechanical properties at constant temperature, constant pressure ensemble. The cohesive energy of the model nanowire systems was calculated by Quantum Sutton-Chen many body potential. The temperature and the pressure of the system were controlled by Nose-Hoover thermostat and Berendsen barostat, respectively. In addition effects of the diameter of nanowire on the mechanical properties were studied. The obtained results show that, when the diameter of Rh-20at%Pd nanowire increase, elastic constants, bulk modulus and Young modulus all increase, and when the diameter reaches about 5.5 nm, the properties began to level off and remain constant.

Index Terms—Mechanical properties, molecular dynamics simulation, Rh-20at%Pd nanowire.

J. Davoodi and M. J. Moradi are with the Department of Physics, University of Zanjan, Zanjan, Iran (e-mail: jdavoodir@ znu.ac.ir; mjm.znu64@gmail.com).

Cite: Shahiron Shahidan , Norazura Muhamad Bunnori, Neeraj Bhardwaj, Noorsuhada Md Nor, Siti Ramziah Basri, and Sakhiah Abdul Kudus, "Numerical Simulation of the Elastic Properties of Rh-20at%Pd Nanowire," International Journal of Applied Physics and Mathematics  vol. 2, no. 1, pp. 026-029, 2012.