SURFACE ENERGY CALCULATION FOR RHODIUM (RH) TREATED AS FCC METAL WITH BOTH POSITIVE AND NEGATIVE CAUCHY’S DISCREPANCY BY USING THE GEAM

2024/06/11 by Oni-Ojo, A. A., Aiyohuyin, E. O.
#Embedding Fuction #Geam #Inter-Atomic

paper · doi:10.60787/jnamp-v67i1-347

Abstract

The fcc metal Rhodium is treated as having both positive and negative Cauchy’s discrepancy and the three low-index surfaces of the metal calculated using the generalized embedded-atom method (GEAM), a model developed by [1]. The low-index surface energies investigated are ,  and . The predicted values are in good agreement with the experimental values. The result shows having the lowest and having the highest energy value.

Related

• GEAM INVESTIGATION OF THE INTER-ATOMIC POTENTIAL STRUCTURE OF RHODIUM (RH) AS FCC METAL HAVING ELASTIC CONSTANT WITH BOTH (C₁2> C₄4 ) AND (C₁2> C₄4 )
• Formation Energy, Stress, and Relaxations of Low-Index Rhodium Surfaces
• Nearest-Neighbor Broken Bond Model for Describing the Surface Energies of Transition Metals
• Equations of state for ruthenium and rhodium
• Correlating surface energy with adsorption energy by means of intrinsic characteristics of substrates