Features of interface formation in crystallites under mechanically activated diffusion. A molecular dynamics study

Abstract

In this paper, we carried out investigation of behavior of the material under loading condition identical those used in FSW using molecular dynamic method. The loading was modelled by a rigid rotating "tool" that movies along boundary between two grains. We considered pairing of two crystallites of copper, crystallites of copper and iron, and two crystallites of aluminum 2024. Analysis of the structure of the sample showed the intermixing and stirring of dissimilar atoms as a result the FSW tool pass at the inter-crystallite boundary. It was shown, that under certain condition of loading when tool passes there a region where atoms can occupying the original position of the crystal lattice. We also show influence of an additional oscillating impact applied to the moving tool on the structure of the resulting weld. The simulation results obtained can be used for understanding the processes realized under mechanically activated diffusion.

Original language	English
Title of host publication	Proceedings of the 8th International Conference on Computational Plasticity - Fundamentals and Applications, COMPLAS 2015
Publisher	International Center for Numerical Methods in Engineering
Pages	982-991
Number of pages	10
ISBN (Print)	9788494424465
Publication status	Published - 2015
Event	13th International Conference on Computational Plasticity, COMPLAS 2015 - Barcelona, Spain Duration: 1 Sep 2015 → 3 Sep 2015

Other

Other	13th International Conference on Computational Plasticity, COMPLAS 2015
Country	Spain
City	Barcelona
Period	1.9.15 → 3.9.15

Keywords

Deformation
Mechanical activation
Microstructure
Molecular dynamics

ASJC Scopus subject areas

Computational Theory and Mathematics
Theoretical Computer Science

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Nikonov, A. Y., Dmitriev, A. I., Konovalenko, I. S., Kolubaev, E. A., Astafurov, S. V., & Psakhie, S. G. (2015). Features of interface formation in crystallites under mechanically activated diffusion. A molecular dynamics study. In Proceedings of the 8th International Conference on Computational Plasticity - Fundamentals and Applications, COMPLAS 2015 (pp. 982-991). International Center for Numerical Methods in Engineering.

Features of interface formation in crystallites under mechanically activated diffusion. A molecular dynamics study. / Nikonov, Anton Yu; Dmitriev, Andrey I.; Konovalenko, Ivan S.; Kolubaev, Evgeny Alexangrovich; Astafurov, Sergey V.; Psakhie, Sergey G.

Proceedings of the 8th International Conference on Computational Plasticity - Fundamentals and Applications, COMPLAS 2015. International Center for Numerical Methods in Engineering, 2015. p. 982-991.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Nikonov, AY, Dmitriev, AI, Konovalenko, IS , Kolubaev, EA, Astafurov, SV & Psakhie, SG 2015, Features of interface formation in crystallites under mechanically activated diffusion. A molecular dynamics study. in Proceedings of the 8th International Conference on Computational Plasticity - Fundamentals and Applications, COMPLAS 2015. International Center for Numerical Methods in Engineering, pp. 982-991, 13th International Conference on Computational Plasticity, COMPLAS 2015, Barcelona, Spain, 1.9.15.

Nikonov AY, Dmitriev AI, Konovalenko IS , Kolubaev EA, Astafurov SV, Psakhie SG. Features of interface formation in crystallites under mechanically activated diffusion. A molecular dynamics study. In Proceedings of the 8th International Conference on Computational Plasticity - Fundamentals and Applications, COMPLAS 2015. International Center for Numerical Methods in Engineering. 2015. p. 982-991

Nikonov, Anton Yu ; Dmitriev, Andrey I. ; Konovalenko, Ivan S. ; Kolubaev, Evgeny Alexangrovich ; Astafurov, Sergey V. ; Psakhie, Sergey G. / Features of interface formation in crystallites under mechanically activated diffusion. A molecular dynamics study. Proceedings of the 8th International Conference on Computational Plasticity - Fundamentals and Applications, COMPLAS 2015. International Center for Numerical Methods in Engineering, 2015. pp. 982-991

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keywords = "Deformation, Mechanical activation, Microstructure, Molecular dynamics",

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AU - Nikonov, Anton Yu

AU - Dmitriev, Andrey I.

AU - Konovalenko, Ivan S.

AU - Kolubaev, Evgeny Alexangrovich

AU - Astafurov, Sergey V.

AU - Psakhie, Sergey G.

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N2 - In this paper, we carried out investigation of behavior of the material under loading condition identical those used in FSW using molecular dynamic method. The loading was modelled by a rigid rotating "tool" that movies along boundary between two grains. We considered pairing of two crystallites of copper, crystallites of copper and iron, and two crystallites of aluminum 2024. Analysis of the structure of the sample showed the intermixing and stirring of dissimilar atoms as a result the FSW tool pass at the inter-crystallite boundary. It was shown, that under certain condition of loading when tool passes there a region where atoms can occupying the original position of the crystal lattice. We also show influence of an additional oscillating impact applied to the moving tool on the structure of the resulting weld. The simulation results obtained can be used for understanding the processes realized under mechanically activated diffusion.

AB - In this paper, we carried out investigation of behavior of the material under loading condition identical those used in FSW using molecular dynamic method. The loading was modelled by a rigid rotating "tool" that movies along boundary between two grains. We considered pairing of two crystallites of copper, crystallites of copper and iron, and two crystallites of aluminum 2024. Analysis of the structure of the sample showed the intermixing and stirring of dissimilar atoms as a result the FSW tool pass at the inter-crystallite boundary. It was shown, that under certain condition of loading when tool passes there a region where atoms can occupying the original position of the crystal lattice. We also show influence of an additional oscillating impact applied to the moving tool on the structure of the resulting weld. The simulation results obtained can be used for understanding the processes realized under mechanically activated diffusion.

KW - Deformation

KW - Mechanical activation

KW - Microstructure

KW - Molecular dynamics

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