Premium
Continuum modeling of material interfaces and surfaces based on molecular statics computations
Author(s) -
Sievers Christian,
Mosler Jörn
Publication year - 2015
Publication title -
pamm
Language(s) - English
Resource type - Journals
ISSN - 1617-7061
DOI - 10.1002/pamm.201510170
Subject(s) - statics , computation , equivalence (formal languages) , material properties , statistical physics , variety (cybernetics) , materials science , classical mechanics , physics , computer science , mathematics , thermodynamics , algorithm , pure mathematics , artificial intelligence
The effective macroscopic properties of a broad variety of different materials are defined by the properties of the involved material interfaces and surfaces. However, in contrast to classical bulk materials, the mechanical properties of material interfaces can usually only be determined indirectly. For that purpose, two different approaches are presented which allow to compute macroscopic properties of material interfaces based on molecular statics computations. While the first of those is based on the principle of energy equivalence, the second one relies on the principle of stress equivalence. The advantages and disadvantages of both frameworks are analyzed. (© 2015 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)