ALKALINE EARTH IMPURITY SEGREGATION AT THE BASAL {0001} AND PRISM {10(1)over-bar0} SURFACES OF alpha-Al2O3

被引：8

作者：

Kenway, P. R. ^{[1
]}

Parker, S. C. ^{[1
]}

Mackrodt, W. C. ^{[2
]}

机构：

[1] Univ Bath, Sch Chem, Bath BA2 7AY, Avon, England

[2] ICI Chem & Polymers Ltd, Runcorn WA7 4QD, Cheshire, England

来源：

MOLECULAR SIMULATION | 1989年 / 4卷 / 1-3期

关键词：

Segregation; surfaces; alumina; alkaline earth impurities; atomistic simulation; sintering;

D O I：

10.1080/08927028908021973

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Atomistic computer simulation methods have been used to model calcium and magnesium segregation at the basal {0001} and prism {10 (1) over bar0} surfaces of alpha-Al2O3 and their interaction with charge compensating defects. The results demonstrate that segregation is surface specific, varying with temperature, impurity ion size and concentration. The variation of defect energy as a function of distance from the basal surface is also given and the results are discussed in the light of the sintering behaviour of alpha-Al2O3 doped with calcium and magnesium.

引用

页码：175 / 185

页数：11

共 19 条

[1] ANISOTROPIC CALCIUM SEGREGATION TO THE SURFACE OF AL2O3 [J].