The 28th Conference on Computer Methods in Materials Technology , 2023-03-05

Title : ( Molecular dynamics simulations of the interdiffusion at Al2O3/AlSi12 interface )

Authors: Masoud Tahani , Eligiusz Postek , Tomasz Sadowski ,

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Metal matrix composites (MMC) are used more and more in the aerospace, automotive, and bio-medical industries because of their high strength-to-weight ratio, high stiffness, and outstanding wear resistance. Aluminium, titanium, and magnesium are the most preferred matrix materials, whereas alumina and silicon carbide are the most used reinforcing elements for these composites. The overall mechanical and failure properties of MMCs depend on the mechanical properties of the constituents and the nature of the interface. The characteristics of the interface must be understood because they have the potential to significantly alter the properties of MMCs. The interface between phases is a fuzzy region because of diffusion. To this end, it is necessary to look into the diffusion between the two phases as the first step for determining the cohesive zone model of the interface. In this study, AlSi12 metal alloy as matrix material reinforced with -Al2O3 is considered. AlSi12 is an aluminium alloy that contains 12 wt.% silicon with excellent thermal conductivity, good corrosion resistance, and low density. The composite can be used in various high-temperature applications such as furnace linings, engine parts, and aerospace components. It is worth noting that the properties and performance of the composite will depend on the processing conditions, microstructure, the proportion of the components, and the interface’s characteristics. The investigation carried out by Milas et al. [1] regarding the diffusion of Al, O, Pt, Hf, and Y atoms on Al2O3(0001) can be mentioned as an illustration of research that has been published in the literature. To the authors’ knowledge, no studies have been done on Al2O3/AlSi12 diffusion couple. To this end, the self-diffusion and interdiffusion at the interface are investigated in this research by heating the system to the desired temperature. The effect of annealing temperature and annealing time are studied on the diffusion zone and interdiffusion coefficients. The thickness of the diffusion zone and the interdiffusion coefficients are found to increase as expected with increasing annealing temperature and time.


, Self-diffusion, Interdiffusion, Metal-ceramic composite, Al2O3/AlSi12 interface, Molecular dynamics method
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author = {Tahani, Masoud and Eligiusz Postek and Tomasz Sadowski},
title = {Molecular dynamics simulations of the interdiffusion at Al2O3/AlSi12 interface},
booktitle = {The 28th Conference on Computer Methods in Materials Technology},
year = {2023},
location = {Zakopane, pol},
keywords = {Self-diffusion; Interdiffusion; Metal-ceramic composite; Al2O3/AlSi12 interface; Molecular dynamics method},


%0 Conference Proceedings
%T Molecular dynamics simulations of the interdiffusion at Al2O3/AlSi12 interface
%A Tahani, Masoud
%A Eligiusz Postek
%A Tomasz Sadowski
%J The 28th Conference on Computer Methods in Materials Technology
%D 2023