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Extrapolative procedures in modelling and simulations: the role of instabilities
KTH, School of Engineering Sciences (SCI), Theoretical Physics, Theory of Materials.
2008 (English)In: SCIENTIFIC MODELING AND SIMULATIONS, ISSN 1874-8554, Vol. 15, no 1-3, 5-20 p.Article in journal (Refereed) Published
Abstract [en]

In modelling and simulations there is a risk that one extrapolates into a region where the model is not valid. In this context instabilities are of particular interest, since they can arise without any precursors. This paper discusses instabilities encountered in the field of materials science, with emphasis on effects related to the vibrations of atoms. Examples deal with, i.a., common lattice structures being either metastable or mechanically unstable, negative elastic constants that imply an instability, unexpected variations in the composition dependence of elastic constants in alloys, and mechanisms governing the ultimate strength of perfect crystals.

Place, publisher, year, edition, pages
2008. Vol. 15, no 1-3, 5-20 p.
Keyword [en]
Modelling, Simulation, Extrapolation, Instability, Lattice dynamics, Ultimate strength
National Category
Materials Engineering
URN: urn:nbn:se:kth:diva-33349DOI: 10.1007/s10820-008-9093-1ISI: 000263201100003ScopusID: 2-s2.0-70350160401OAI: diva2:414694
QC 20110504Available from: 2011-05-04 Created: 2011-05-04 Last updated: 2011-05-04Bibliographically approved

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Grimvall, Göran
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