A diffuse interface model of interfaces: Grain boundaries in silicon nitride

被引：27

作者：

Bishop, CM

Cannon, RM

Carter, WC

机构：

[1] Univ Oxford, Dept Mat, Oxford OX1 3PH, Oxon, England

[2] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA

[3] Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA USA

来源：

ACTA MATERIALIA | 2005年 / 53卷 / 18期

基金：

美国国家科学基金会;

关键词：

grain boundary wetting; thermodynamics; interface transitions; grain boundary structure; ceramics;

D O I：

10.1016/j.actamat.2005.07.008

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A diffuse-interface model for interfaces in multi-component systems with energetic contributions from chemistry, defects, structure, orientation, electrostatics and gradients is proposed. The energy minimizing profiles of planar grain boundaries in the pseudo-binary SiO2-SiN4/3 system are calculated in the SiN4/3-rich single-phase field. Intergranular films are found to be stable below the eutectic temperature. Evidence of first-order grain boundary order-disorder transitions is found in misorientation and chemical potential space. Interface transitions predicted with the model can be plotted on equilibrium phase diagrams to produce "interfacial phase diagrams." These could be a tool for designing processing routes to optimize bulk, polycrystalline material properties through control of grain boundary characteristics. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：4755 / 4764

页数：10

共 64 条

[21] POSSIBLE ELECTRICAL DOUBLE-LAYER CONTRIBUTION TO THE EQUILIBRIUM THICKNESS OF INTERGRANULAR GLASS-FILMS IN POLYCRYSTALLINE CERAMICS [J].