Revealing the interface properties of the Ti2AlC/TiAl composite from a first principles investigation

Pei, Xin; Yuan, Meini; Wang, Honglin; Liang, Guang; Miao, Yuzhong; Li, Maohua; Zhou, Xiaosheng; Shen, Xingquan

doi:10.1016/j.apsusc.2023.156491

Cited by 18 publications

(2 citation statements)

References 43 publications

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“…Therefore, the study of the properties of aluminium alloys reinforced with nanoceramic particles using first-principle calculations can provide ideas and theoretical basis for experimental design and interpretation of results. For example, Han et al 23 – 25 investigated the surface energy, adhesion, interfacial energy, and electronic structure of Ti/Al 3 Ti based on first principles. The results show that Al 3 Ti particles have excellent interfacial compatibility, which enables them to effectively limit the dislocation activities at the grain boundaries and within the crystals of aluminium alloys, thus improving the properties of the materials.…”

Section: Introductionmentioning

confidence: 99%

Influence of nano-BN inclusion and mechanism involved on aluminium-copper alloy

Zhang,

Zeng,

Wang

et al. 2024

Sci Rep

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Taking advantage of the high specific surface area of the nanoparticles, boron nitride (BN) nanoparticles were incorporated into the semi-solidified aluminium-copper alloy Al–5Cu–Mn (ZL201) system during the casting process, and its properties and enhancement mechanism were studied. The results shown that the BN in the new composite material is more uniformly distributed in the second phase (Al2Cu), which can promote grain refinement and enhance the bonding with the aluminium-based interface, and the formation of stable phases such as AlB2, AlN, CuN, etc. makes the tensile strength and hardness of the material to be significantly improved (8.5%, 10.2%, respectively). The mechanism of the action of BN in Al2Cu was analyzed by establishing an atomic model and after calculation: BN can undergo strong adsorption on the surface of Al2Cu (0 0 1), and the adsorption energy is lower at the bridge sites on the two cut-off surfaces, which makes the binding of BN to the aluminum base more stable. The charge transfer between B, N and each atom of the matrix can promote the formation of strong covalent bonds Al–N, Cu–N and Al–B bonds, which can increase the dislocation density and hinder the grain boundary slip within the alloy.

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Section: Introductionmentioning

confidence: 99%

Influence of nano-BN inclusion and mechanism involved on aluminium-copper alloy

Zhang,

Zeng,

Wang

et al. 2024

Sci Rep

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“…MAX phase is a kind of reinforcement with excellent high temperature mechanical properties [ 14 , 15 , 16 ]. Meanwhile, the generation and growth of Ti 2 AlC/Ti 2 AlN in TiAl alloys have already been proven [ 17 , 18 , 19 , 20 ]. MAX phases such as Ti 2 AlC and Ti 2 AlN have good mechanical properties at the service temperature of TiAl alloys, including their high temperature strength and high temperature ductility.…”

Section: Introductionmentioning

confidence: 99%

Microstructure and Mechanical Properties of Dual Scaled NbC/Ti2AlC Reinforced Titanium–Aluminum Composite

Cui

Wang

2023

Materials

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A TiAl composite containing hybrid particles and whisker reinforcements is fabricated by vacuum melting. The results of this study show that the comprehensive mechanical properties and refining effect of the material are best when the content of reinforcement is 1 wt.%, and then the mechanical properties begin to deteriorate as the content increases further. Finely dispersed NbC particles and uniformly dispersed Ti2AlC whiskers are the ideal second phases. The synergistic strengthening effect of NbC particles and in situ Ti2AlC whiskers are key to the improvement of mechanical properties. Compared with the TiAlNb matrix, the fracture stress/strain of the composite at 1073 K is improved from 612 MPa/19.4% to 836 MPa/26.6%; the fracture toughness at room temperature is improved from 18.8 MPa/m2 to 27.4 MPa/m2.

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Multiple ceramic particles help to improve oxidation resistance of TiAl alloy

Zeng,

Wang,

et al. 2024

Applied Surface Science

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Revealing the interface properties of the Ti2AlC/TiAl composite from a first principles investigation

Cited by 18 publications

References 43 publications

Influence of nano-BN inclusion and mechanism involved on aluminium-copper alloy

Influence of nano-BN inclusion and mechanism involved on aluminium-copper alloy

Microstructure and Mechanical Properties of Dual Scaled NbC/Ti2AlC Reinforced Titanium–Aluminum Composite

Multiple ceramic particles help to improve oxidation resistance of TiAl alloy

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