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A comprehensive DFT study on the thermodynamic and mechanical properties of L12-Al3Ti/Al interface

Xieyi Zhang, +3 more
- 01 Jan 2021 - 
- Vol. 183, pp 109858
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TLDR
In this paper, the authors systematically studied the properties of metastable Al3Ti/Al (L12-Al3 Ti/Al) low-index coherent interface, including structure stability, fracture behavior, plasticity, stacking fault energy, electron structure, and density of states.
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This article is published in Vacuum.The article was published on 2021-01-01. It has received 14 citations till now. The article focuses on the topics: Stacking-fault energy.

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A systematic study of interface properties and fracture behavior of graphene/aluminum: Insights from a first-principles study

TL;DR: In this article , different structural models of Al matrix and graphene/Al composites were studied by first-principles calculations, revealing the interface strength and fracture behavior mechanism. And the results have certain guiding significance for the experimental synthesis of graphene-reinforced aluminum matrix composites and the improvement of the strength of aluminum and aluminum alloys.
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Effect of tungsten mesh interlayer on microstructure and mechanical performance of A6061/Ti6Al4V dissimilar joints

TL;DR: In this article, a tungsten mesh interlayer was proposed to improve the spreading and wetting abilities of the molten aluminum on the Ti6Al4V surface, and the tensile shear capacity and ductility of the A6061/Ti6Al 4V joints were better than those of the joints without tengsten mesh at the same welding parameters.
Journal ArticleDOI

A first-principles study on the doping stability and micromechanical properties of alloying atoms in aluminum matrix

TL;DR: In this paper , the effects of a series of alloying atoms on the stability and micromechanical properties of aluminum alloy was studied by the first-principles calculations of density functional theory.
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Co-segregation behavior and weakening effect of the major elements in Al-Zn-Mg-Cu series alloys on Al Σ3(111)[110] symmetrical tilt grain boundary: a first-principles study

TL;DR: In this article , the co-segregation behavior of Mg, Zn, and Cu atoms at the Al Σ3(111)[110] symmetrical tilt grain boundary (GB) and its strengthening effect on the GB strength by first-principles calculation was investigated.
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Characterization of in-situ reinforced (Al,Si)3(Ti,Ce) precipitates in T6 treated A356-0.3wt.%Ce-1.5vol.%TiCN composite and its effects on mechanical properties

TL;DR: In this paper , the microstructural evolution and mechanical properties of T6 treated A356-0.3wt.%TiCN composite were studied, and the results demonstrated that the grain refinement and eutectic Si modification effects of t6 treated T6-towards A356 0.3w.%Ce-1.5vol.
References
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Journal ArticleDOI

Dislocation nucleation from a crack tip : an analysis based on the Peierls concept

TL;DR: In this paper, a periodic relation between shear stress and atomic shear displacement is assumed to hold along the most highly stressed slip plane emanating from a crack tip, which allows some small slip displacement to occur near the tip in response to small applied loading and, with increase in loading, the incipient dislocation configuration becomes unstable and leads to a fully formed dislocation which is driven away from the crack.
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Intrinsic stacking faults in body-centred cubic crystals

TL;DR: In this article, a study of the possibility of the existence of stacking faults in b.c. crystals on {110} and {112} planes has been performed, representing the lattice by a central force interaction between atoms.
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Embrittlement of interfaces by solute segregation

TL;DR: In this paper, the authors discuss theoretical models of interfacial embrittlement by solute segregation and discuss the role of surface and grain boundary adsorption in controlling embrittlements.
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Precipitation of Al3Sc in binary Al–Sc alloys

TL;DR: In this article, the formation of coherent Al 3 Sc particles in Al-Sc alloys containing 0.06, 0.12 and 0.18% Sc was investigated using transmission electron microscopy.
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First-principles determination of grain boundary strengthening in tungsten: Dependence on grain boundary structure and metallic radius of solute

TL;DR: In this article, the authors study the effect of transition metals on the grain boundary strengthening of tungsten GBs and uncover its dependence on the GB structures and the radius of the solute itself.
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