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WEB Impact of Grain Boundary Complexion on structure-properties relationship in binary Al-Mg alloy

Thursday (24.09.2020)
12:05 - 12:20 M: Modelling and Simulation 2
Part of:

Aluminum alloys are extremely valuable materials due to their good strength properties in connection with low density. Grain boundaries (GB) have a significant impact on the structure, mechanical, and other properties of polycrystalline materials. To develop materials with improved properties it is necessary to study grain boundaries. Atomic level insight into GB complexion enables to fully understand and describe the structure, chemistry and properties of grain boundaries. In this work, a grain boundary complexion transition in the Al90Mg10 alloy was examined by atomic-scale computational method. These include molecular dynamics simulations using Embedded Atom Model potential and newly developed tools for determining structural properties. To increase GB mobility, the investigated Al90Mg10 bicrystals were subjected to external loading stresses. As a result, GB diffusion and mechanical properties of Al-Mg alloy before and after deformation were studied. The tools, used to study the structure-properties relationship of GB and bicrystalline sample, enabled to capture a phase transition occurring at grain boundaries.

Dr. Marcela Trybula
Polish Academy of Sciences
Additional Authors:
  • Arkadiusz Żydek
    AGH University of Science and Technology