Open AccessMODIFIED EMBEDDED-ATOM METHOD FOR SIMULATING THE MULTILAYER RELAXATION AND SELF-DIFFUSION OF COPPER
Author(s) -
Wan Jun,
Shigang Shen,
Fan Xi-Qing
Publication year - 1997
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.46.1161
Subject(s) - materials science , copper , relaxation (psychology) , diffusion , atom (system on chip) , self diffusion , surface (topology) , embedded atom model , diffusion barrier , surface diffusion , molecular physics , atomic physics , thermodynamics , chemical physics , chemistry , molecular dynamics , nanotechnology , computational chemistry , physics , adsorption , metallurgy , geometry , self service , mathematics , business , computer science , embedded system , psychology , social psychology , layer (electronics) , marketing
The multilayer relaxation of Cu(100),(110),(111)and(311) surfaces are calculated- using the modified embedded atom method,from which the results obtained are in good agreement with the experiments. The self-diffusion mechanisms on the Cu(100) surface are investigated,and the result is colse to the available experimental data and that obtained by local density approximation method.In addition,the diffusion barrier heights on Cu(110) and (111) surface are predicted.