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Estimation of Isotropic Hyperelasticity Constitutive Models to Approximate the Atomistic Simulation Data for Aluminium and Tungsten Monocrystals

Marcin Maździarz1, Marcin Gajewski2

Department of Computational Science, Institute of Fundamental Technological Research Polish Academy of Sciences, Pawińskiego 5B, 02-106 Warsaw, Poland.
The Faculty of Civil Engineering, Warsaw University of Technology, Armii Ludowej 16, 00-637 Warsaw, Poland.

Computer Modeling in Engineering & Sciences 2015, 105(2), 123-150. https://doi.org/10.3970/cmes.2015.105.123

Abstract

In this paper, the choice and parametrisation of finite deformation polyconvex isotropic hyperelastic models to describe the behaviour of a class of defect-free monocrystalline metal materials at the molecular level is examined. The article discusses some physical, mathematical and numerical demands which in our opinion should be fulfilled by elasticity models to be useful. A set of molecular numerical tests for aluminium and tungsten providing data for the fitting of a hyperelastic model was performed, and an algorithm for parametrisation is discussed. The proposed models with optimised parameters are superior to those used in non-linear mechanics of crystals.

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Maździarz, M., Gajewski, M. (2015). Estimation of Isotropic Hyperelasticity Constitutive Models to Approximate the Atomistic Simulation Data for Aluminium and Tungsten Monocrystals. CMES-Computer Modeling in Engineering & Sciences, 105(2), 123–150.



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