CALCULATIONS OF THE SURFACE AND DIFFUSION BARRIERS FOR OXYGEN PENETRATION ON METALS AND THEIR OXIDES

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LONG DE-SHUN, WANG YAN-SEN, FANG DU-FEI, TANG JIA-YONG

Acta Phys. Sin., 1997, 46(10): 1894-1900.

doi: 10.7498/aps.46.1894

Abstract
Using a simpler calculation scheme, we have investigated the surface penetration barriers and bulk diffusion barriers for oxygen in the simple metals Al,Be,Ca,Mg,Zn and their oxides. The results show that the values of the barriers depend on the crystal structure of the material and on the ability of the lattice to relax during the incorporation process. By comparing the theoretical values of the barriers with the experimental ones, we found that the agreement is basically good.
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LONG DE-SHUN,

WANG YAN-SEN,

FANG DU-FEI,

TANG JIA-YONG

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