Comparative study of multiscale computational strategies for materials with discrete microstructures

DOI10.1016/J.CMA.2021.113883MaRDI QIDQ2237284zbMATH OpenOpenAlexFDO

Authors K. Mikeš, F. Bormann, Ondřej Rokoš, R. H. J. Peerlings

Publication date 27 October 2021

Published in Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2105.00731

zbMATH Keywords

crack propagationlattice modeldislocation pileupmolecular staticsPeierls-Nabarro modelquasicontinuum

Mathematics Subject Classification ID

Finite element, Rayleigh-Ritz and Galerkin methods for initial value and initial-boundary value problems involving PDEs (65M60) Micromechanics of solids (74M25) Finite element methods applied to problems in solid mechanics (74S05)

Abstract: The evolution of local defects such as dislocations and cracks often determines the performance of engineering materials. For a proper description and understanding of these phenomena, one needs to descend to a very small scale, at which the discreteness of the material emerges. Fully-resolved discrete numerical models often suffer from excessive computing expenses when used for application-scale considerations. More efficient multiscale simulation procedures are thus called for, capable of capturing the most significant microscopic phenomena while being computationally tractable. Two broad classes of methods are available in the literature. The first class considers the fully-resolved discrete system, which is subsequently reduced through suitable mathematical tools such as projection and reduced integration. The second class first homogenizes the discrete system into an equivalent continuum formulation, into which the main phenomena are added through specific enrichments. This paper provides a thorough comparison of the two different modeling philosophies in terms of their theory, accuracy, and performance. To this goal, two typical representatives are adopted: the Quasicontinuum method for the first class, and an effective continuum with an embedded cohesive zone model for the second class. Two examples are employed to demonstrate capabilities and limitations of both approaches: dislocation propagation and pile-up against a coherent phase boundary, and a three-point bending test of a concrete specimen with crack propagation. In both cases, the accuracy of the two methods is compared against the fully-resolved discrete reference model. It is shown that whereas continuum models with embedded cohesive zones offer good performance to accuracy ratios, they might fail to capture unexpected mechanical behavior. The Quasicontinuum method offers more flexibility at a higher computational cost.

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Cited in

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• Discrete–element method simulations: from micro to macro scales

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