Palladium의 Embedded Atom Method 개발

Numerical analysis in the atomic level is necessary to analyze the relation between hydrogen absorption metals and hydrogen. The embedded atom method established on density functional theory was developed as a new means for calculating various properties and phenomena of realistic metal systems. In this study, the embedding atom method was used for calculating expansion of palladium and palladium hydride. Also, by using the electrochemical method, the palladium bar was loaded with hydrogen to measure expansion. And results through EAM analysis were compared with experiment data. As results, EAM results on palladium and palladium hydride show good agreement with experiment data. The agreement with experiment makes it an effective tool for the study of the relation between hydrogen and hydrogen absorption metals.