Abstract
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.
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Grimvall, G. (2008). Extrapolative procedures in modelling and simulations: the role of instabilities. In: Yip, S., de la Rubia, T.D. (eds) Scientific Modeling and Simulations. Lecture Notes in Computational Science and Engineering, vol 68. Springer, Dordrecht. https://doi.org/10.1007/978-1-4020-9741-6_3
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DOI: https://doi.org/10.1007/978-1-4020-9741-6_3
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