Abstract
TiAl alloys can be used in aircraft and high-performance vehicle engines owing to their structural stability at high temperatures and their light weight. Although many studies have focused on developing this alloy material, there is still a lack of information about the changes in the structure of TiAl alloys under tensile and compressive loading. Therefore, we performed molecular dynamics simulations of the tensile and compressive loading of TiAl alloys in the <001> direction at temperatures of 10 and 300 K. From our simulation results, we found that the tensile and compressive strengths of TiAl alloys are significantly affected by temperature. It was found that TiAl alloys can withstand greater compression loading than tensile loading. This is due to the change in the crystal structure of TiAl alloys after being deformed to a strain of 0.4 by compressive loading, according to the analysis of structural changes under loading conditions. From the radial distribution analysis results, there was a change in the orientation of the face-centered cubic-like structure as it reached the maximum compressive stress compared to the initial structure.
Highlights
The mechanical properties of metals and their alloys have been gaining attention in materials science research for a long time [1,2,3,4,5]
Magnesium-based alloys can be used in biomedical applications as bone implants
The calculation of the TiAl lattice constant using this potential showed a very high accuracy of 99.5% compared to the experimental value [31], and it differed by 0.95% from recent density functional theory (DFT) calculation results [32]
Summary
The mechanical properties of metals and their alloys have been gaining attention in materials science research for a long time [1,2,3,4,5]. Among the mechanical properties that have been widely investigated are the tensile and compressive strengths of metal alloys. Intermetallic γ-TiAl alloys, hereinafter referred to as TiAl alloys, are currently being intensively researched and developed because of their potential use in aircraft and automotive components [9]. This material can be found in modern airplane jet engines because of its resistance to high temperatures [10]. It is used in high-performance vehicle engines [11] This alloy material has excellent oxidation resistance and good structural stability during long-term thermal exposure [12,13]. The interaction between magnesium implants and protein has been reported by Zhang et al [20]
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