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2010
Journal Article
Title

Approaches to atomistic triple-line properties from first-principles

Abstract
Different approaches to study wetting and adhesion by applying density-functional theory (DFT) methods are highlighted. The ab initio thermodynamics method is used to demonstrate the link between the calculated work of separation and the work of adhesion and wetting angles from sessile-drop measurements. An approach to extend DFT calculations to the case of large-scale interfaces relevant for wetting systems is also discussed.
Author(s)
Hashibon, A.
Elsässer, C.
Journal
Scripta materialia  
File(s)
Download (2.59 MB)
DOI
10.24406/publica-r-221708
10.1016/j.scriptamat.2010.03.004
Language
English
Fraunhofer-Institut für Werkstoffmechanik IWM  
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