IMECH-IR  > 非线性力学国家重点实验室
First principles based predictions of the toughness of a metal/oxide interface
Jiang Y; Wei YG(魏悦广); Smith JR; Hutchinson JW; Evans AG
Conference Name7th International Workshop on Interfaces - New materials Via Interfacial Control
Conference DateJUN 22-26, 2008
Conference PlaceSantiago de Compostela, SPAIN
AbstractWe describe a first-principles-based strategy to predict the macroscopic toughness of a gamma-Ni(Al)/alpha-Al2O3 interface. Density functional theory calculations are used to ascertain energy changes upon displacing the two materials adjacent to the interface, with relaxation conducted over all atoms located within adjoining rows. Traction/displacernent curves are obtained from derivatives of the energy. Calculations are performed in mode I (opening), mode II (shear) and at a phase angle of 45 degrees. The shear calculations are conducted for displacements along < 110 > and < 112 > of the Ni lattice. A generalized interface potential function is used to characterize the results. Initial fitting to both the shear and normal stress results is required to calibrate the unknowns. Thereafter, consistency is established by using the potential to predict other traction quantities. The potential is incorporated as a traction/displacement function within a cohesive zone model and used to predict the steady-state toughness of the interface. For this purpose, the plasticity of the Ni alloy must be known, including the plasticity length scale. Measurements obtained for a gamma-Ni superalloy are used and the toughness predicted over the full range of mode mixity. Additional results for a range of alloys are used to demonstrate the influences of yield strength and length scale.
KeywordToughness Interface Density Functional Theory Multi-scale Modeling Cohesive Zone Thermal Barrier Systems Plasticity Decohesion Separation Adhesion Ni/al2o3
Indexed ByCPCI(ISTP)
Document Type会议论文
Corresponding AuthorSmith JR
Recommended Citation
GB/T 7714
Jiang Y,Wei YG,Smith JR,et al. First principles based predictions of the toughness of a metal/oxide interface[C]INTERNATIONAL JOURNAL OF MATERIALS RESEARCH,2010:8-15.
Files in This Item: Download All
File Name/Size DocType Version Access License
024.pdf(1249KB) 开放获取--View Download
Related Services
Recommend this item
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Jiang Y]'s Articles
[魏悦广]'s Articles
[Smith JR]'s Articles
Baidu academic
Similar articles in Baidu academic
[Jiang Y]'s Articles
[魏悦广]'s Articles
[Smith JR]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Jiang Y]'s Articles
[魏悦广]'s Articles
[Smith JR]'s Articles
Terms of Use
No data!
Social Bookmark/Share
File name: 024.pdf
Format: Adobe PDF
This file does not support browsing at this time
All comments (0)
No comment.

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.