Ab initio modelling of metal adhesion to ceramics with surface defects

E. A. Kotomin; Y. F. Zhukovskii

Ab initio modelling of metal adhesion to ceramics with surface defects

E. A. Kotomin^*
, Y. F. Zhukovskii

^*Šī darba korespondējošais autors

Pašorganizēto sistēmu kinētikas laboratorija, Cietvielu fizikas institūts

Max Planck Institute for Solid State Research
University of Latvia

Zinātniskās darbības rezultāts: Devums žurnālam › Zinātniskais raksts (žurnālā) › koleģiāli recenzēts

Kopsavilkums

A study on ab initio modeling of metal adhesion to ceramics with surface defects is presented. It is demonstrated that the point surface defects on MgO(001) surface increase markedly the adhesion energy and cause redistribution of the electron density across the interface. The results for electron and hole centers in the Ag atom adhesion at different surface coverages are analyzed.

Oriģinālvaloda	Angļu
Lapas (no-līdz)	67-78
Lapu skaits	12
Žurnāls	Defect and Diffusion Forum
Sējums	218-220
Publikācijas statuss	Publicēts - 2003

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@article{a8bc1b4515b8449ab144ec92057068dd,

title = "Ab initio modelling of metal adhesion to ceramics with surface defects",

abstract = "A study on ab initio modeling of metal adhesion to ceramics with surface defects is presented. It is demonstrated that the point surface defects on MgO(001) surface increase markedly the adhesion energy and cause redistribution of the electron density across the interface. The results for electron and hole centers in the Ag atom adhesion at different surface coverages are analyzed.",

keywords = "Ab initio Calculations, Metal Adhesion, MgO and Corundum Surfaces, Point Defects",

author = "Kotomin, \{E. A.\} and Zhukovskii, \{Y. F.\}",

year = "2003",

language = "English",

volume = "218-220",

pages = "67--78",

journal = "Defect and Diffusion Forum",

issn = "1012-0386",

publisher = "Trans Tech Publications Ltd",

}

TY - JOUR

T1 - Ab initio modelling of metal adhesion to ceramics with surface defects

AU - Kotomin, E. A.

AU - Zhukovskii, Y. F.

PY - 2003

Y1 - 2003

N2 - A study on ab initio modeling of metal adhesion to ceramics with surface defects is presented. It is demonstrated that the point surface defects on MgO(001) surface increase markedly the adhesion energy and cause redistribution of the electron density across the interface. The results for electron and hole centers in the Ag atom adhesion at different surface coverages are analyzed.

AB - A study on ab initio modeling of metal adhesion to ceramics with surface defects is presented. It is demonstrated that the point surface defects on MgO(001) surface increase markedly the adhesion energy and cause redistribution of the electron density across the interface. The results for electron and hole centers in the Ag atom adhesion at different surface coverages are analyzed.

KW - Ab initio Calculations

KW - Metal Adhesion

KW - MgO and Corundum Surfaces

KW - Point Defects

UR - https://www.scopus.com/pages/publications/0043208029

M3 - Article

AN - SCOPUS:0043208029

SN - 1012-0386

VL - 218-220

SP - 67

EP - 78

JO - Defect and Diffusion Forum

JF - Defect and Diffusion Forum

ER -

Ab initio modelling of metal adhesion to ceramics with surface defects

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