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MACROSCOPIC PARTICLE MODELING OF ELASTIC AND PLASTIC DEFORMATION IN METALS: A MULTISCALE APPROACH BASED ON INTERATOMIC POTENTIAL AND CRYSTAL STRUCTURE

Saitoh, K.; Hanashiro, N.; Koizumi, S.; Ogita, S.;

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We formulate a macroscopic particle modeling analysis of metallic materials (aluminum and copper, etc.) based on theoretical energy and atomic geometries derivable from their interatomic potential. In fact, particles in this framework are presenting a large mass composed of huge collection of atoms and are interacting with each other. We can start from cohesive energy of metallic atoms and basic crystalline unit (e.g. face-centered cubic). Then we can reach to interparticle (macroscopic) potential function which is presented by the terms of exponent of inter-particle distance, like a Lennard- Jones potential used in molecular dynamics simulation. Equation of motion for these macroscopic particles has both dissipative term and fluctuation term, as well as the conservative term above, in order to express finite temperature condition. First, we determine the parameters needed in macroscopic potential function and check the reproduction of mechanical behavior in elastic regime. By using the present framework, we carry out uniaxial loading simulation of aluminum rod. The method can reproduce Young’s modulus and Poisson’s ratio as elastic behavior, though the result shows the dependency on division number of particles. Then, we proceed to include plasticity in this multiscale framework. As a result, a realistic curve of stress-strain relation can be obtained for tensile and compressive loading.

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Palavras-chave: Molecular dynamics, Particle method, Elasticity, Plasticity, Multiscale analysis,

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DOI: 10.5151/meceng-wccm2012-18300

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Como citar:

Saitoh, K.; Hanashiro, N.; Koizumi, S.; Ogita, S.; "MACROSCOPIC PARTICLE MODELING OF ELASTIC AND PLASTIC DEFORMATION IN METALS: A MULTISCALE APPROACH BASED ON INTERATOMIC POTENTIAL AND CRYSTAL STRUCTURE", p. 1210-1222 . In: In Proceedings of the 10th World Congress on Computational Mechanics [= Blucher Mechanical Engineering Proceedings, v. 1, n. 1]. São Paulo: Blucher, 2014.
ISSN 2358-0828, DOI 10.5151/meceng-wccm2012-18300

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