MICROPORE FORMATION MECHANISMS IN GAMMA-AL2O3

被引：11

作者：

ALVAREZ, LJ

LEON, LE

SANZ, JF

CAPITAN, MJ

ODRIOZOLA, JA

机构：

[1] UNIV SEVILLA,FAC QUIM,DEPT QUIM FIS,E-41012 SEVILLE,SPAIN

[2] UNIV SEVILLA,CSIC,DEPT QUIM INORGAN,E-41012 SEVILLE,SPAIN

[3] UNIV SEVILLA,CSIC,INST CIENCIA MAT,E-41012 SEVILLE,SPAIN

来源：

SURFACE SCIENCE | 1995年 / 322卷 / 1-3期

关键词：

ALUMINUM OXIDE; AMORPHOUS SURFACES; COMPUTER SIMULATIONS; INSULATING SURFACES; MOLECULAR DYNAMICS; SURFACE DEFECTS; SURFACE RELAXATION AND RECONSTRUCTION; SURFACE ROUGHENING; SURFACE STRUCTURE; MORPHOLOGY; ROUGHNESS; AND TOPOGRAPHY;

D O I：

10.1016/0039-6028(95)90029-2

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：

A set of twenty molecular dynamics simulations of the surface of gamma-Al2O3 were performed at different densities and temperatures in order to investigate the formation mechanisms and structure of micropore systems. It is found that a severe reconstruction takes place at high densities which involves ion migration and a partial amorphization process of the surface. At low densities a different process takes place which does not involve ionic migration but only a local atomic rearrangement. The statistics of size distribution and volume per unit mass calculated from the molecular dynamics simulations are within the ranges experimentally obtained and theoretically predicted.

引用

页码：185 / 192

页数：8

共 15 条

[1] SURFACE CHARACTERIZATION OF AMORPHOUS ALUMINA AND ITS CRYSTALLIZATION PRODUCTS [J].