First-principles calculation on metal-ceramic interfaces

Yue Zhang; Xiaoping Han; Xue Gao; Huibin Xu

First-principles calculation on metal-ceramic interfaces

Yue Zhang^*
, Xiaoping Han
, Xue Gao
, Huibin Xu

^*此作品的通讯作者

材料科学与工程学院

Beihang University

科研成果: 期刊稿件 › 文章 › 同行评审

1 引用（Scopus）

摘要

We have studied Ni/ZrO₂ interfaces using the first-principles method. The structural, electronic and energetic analyses of the interfaces are given. The results show that the adhesion of Ni/ ZrO₂ interface is mainly governed by the coyalent bond, which opposed to the Image Charge Interaction Model. As the thickness of the ceramic layer increases, the adhesive energy is significantly decreased.

源语言	英语
页（从-至）	642
页数	1
期刊	Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering
卷	34
期	SUPPL. 1 PART 2
出版状态	已出版 - 6月 2005

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引用此

@article{a4cd5ad8a589472087865a6cd7576d75,

title = "First-principles calculation on metal-ceramic interfaces",

abstract = "We have studied Ni/ZrO2 interfaces using the first-principles method. The structural, electronic and energetic analyses of the interfaces are given. The results show that the adhesion of Ni/ ZrO2 interface is mainly governed by the coyalent bond, which opposed to the Image Charge Interaction Model. As the thickness of the ceramic layer increases, the adhesive energy is significantly decreased.",

keywords = "Abinitio calculation, Electronic structure, Metal-ceramic interfaces",

author = "Yue Zhang and Xiaoping Han and Xue Gao and Huibin Xu",

year = "2005",

month = jun,

language = "英语",

volume = "34",

pages = "642",

journal = "Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering",

issn = "1002-185X",

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number = "SUPPL. 1 PART 2",

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TY - JOUR

T1 - First-principles calculation on metal-ceramic interfaces

AU - Zhang, Yue

AU - Han, Xiaoping

AU - Gao, Xue

AU - Xu, Huibin

PY - 2005/6

Y1 - 2005/6

N2 - We have studied Ni/ZrO2 interfaces using the first-principles method. The structural, electronic and energetic analyses of the interfaces are given. The results show that the adhesion of Ni/ ZrO2 interface is mainly governed by the coyalent bond, which opposed to the Image Charge Interaction Model. As the thickness of the ceramic layer increases, the adhesive energy is significantly decreased.

AB - We have studied Ni/ZrO2 interfaces using the first-principles method. The structural, electronic and energetic analyses of the interfaces are given. The results show that the adhesion of Ni/ ZrO2 interface is mainly governed by the coyalent bond, which opposed to the Image Charge Interaction Model. As the thickness of the ceramic layer increases, the adhesive energy is significantly decreased.

KW - Abinitio calculation

KW - Electronic structure

KW - Metal-ceramic interfaces

UR - https://www.scopus.com/pages/publications/33845640991

M3 - 文章

AN - SCOPUS:33845640991

SN - 1002-185X

VL - 34

SP - 642

JO - Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering

JF - Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering

IS - SUPPL. 1 PART 2

ER -

First-principles calculation on metal-ceramic interfaces

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