Structural and bonding transformation of Al0.67CrCoCuFeNi high-entropy alloys during quenching

Zhang, Kun; Pan, Shaopeng; Tang, Weiqi; Zhang, Yating; Wei, Bingchen

doi:10.1016/j.jallcom.2018.04.252

Cited by 16 publications

(4 citation statements)

References 34 publications

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“…K/s) [58], liquid splat-quenching (10⁹ -10¹⁰ K/s) [59], and pulsed laser quenching (10¹²-10¹³ K/s) [60,61]. Here, the cooling rate in the range from 0.5 × 10¹⁰ K/s to 1 × 10¹⁴ K/s [60,61] is considered, due to the limit of the computational ability [61][62][63][64] and our interest to establish that molecular simulation can be a reliable method to observe the physics. It is clear that with the increment of cooling rate both material strength and fracture strain increase, and similar kind of result was observed for laser deposited Inconel-718 [65].…”

Section: Failure Mechanismmentioning

confidence: 99%

Deformation mechanisms of Inconel-718 at the nanoscale by molecular dynamics

Faiyad

Munshi

Islam

et al. 2021

Phys. Chem. Chem. Phys.

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Section: Failure Mechanismmentioning

confidence: 99%

Deformation mechanisms of Inconel-718 at the nanoscale by molecular dynamics

Faiyad

Munshi

Islam

et al. 2021

Phys. Chem. Chem. Phys.

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“…Molecular dynamics (MD) simulation is a method of simulating the physical motion trajectories and states of atoms and molecules based on the principles of Newtonian mechanics, which can provide references and supplements to experiments by studying the structure and dynamic behavior of materials at the atomic scale [22,23]. Increasingly researchers have applied MD simulation to the research and development of HEAs composition, such as AlCrCoCuFeNi [24], NbMoTaW [25], HfNbTaZr [26] and CoFeNiTi [27] alloys. Due to the special multi-principal composition of HEA, the analysis of its properties and structure is complicated.…”

Section: Introductionmentioning

confidence: 99%

Composition Design and Tensile Properties of Additive Manufactured Low Density Hf-Nb-Ta-Ti-Zr High Entropy Alloys Based on Atomic Simulations

Liang

et al. 2023

Materials

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High-entropy alloy (HEA) is a new type of multi-principal alloy material and the Hf-Nb-Ta-Ti-Zr HEAs have attracted more and more attention from researchers due to their high melting point, special plasticity, and excellent corrosion resistance. In this paper, in order to reduce the density of the alloy and maintain the strength of the Hf-Nb-Ta-Ti-Zr HEAs, the effects of high-density elements Hf and Ta on the properties of HEAs were explored for the first time based on molecular dynamics simulations. A low-density and high-strength Hf0.25NbTa0.25TiZr HEA suitable for laser melting deposition was designed and formed. Studies have shown that the decrease in the proportion of Ta element reduces the strength of HEA, while the decrease in Hf element increases the strength of HEA. The simultaneous decrease in the ratio of Hf and Ta elements reduces the elastic modulus and strength of HEA and leads to the coarsening of the alloy microstructure. The application of laser melting deposition (LMD) technology refines the grains and effectively solves the coarsening problem. Compared with the as-cast state, the as-deposited Hf0.25NbTa0.25TiZr HEA obtained by LMD forming has obvious grain refinement (from 300 μm to 20–80 μm). At the same time, compared with the as-cast Hf0.25NbTa0.25TiZr HEA (σs = 730 ± 23 MPa), the as-deposited Hf0.25NbTa0.25TiZr HEA has higher strength (σs = 925 ± 9 MPa), which is similar to the as-cast equiatomic ratio HfNbTaTiZr HEA (σs = 970 ± 15 MPa).

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“…For instance, it has been found that during the deformation of CoCrFeN-iMn HEA, Shockley partial dislocation forms between FCC and HCP atoms and guides the nucleation of HCP structure from the FCC matrix structure [11,13]. As to the temperature-induced phase transformation, there are a few works focusing on the nucleation behavior from liquid to solid (or crystallization) in HEAs by atomistic simulation [15][16][17][18][19]. Zhang et al [19] characterized the bonding interactions in Al 0.67 CrCoFeNi HEA and found that the low-symmetry Available online at http:// link.…”

Section: Introductionmentioning

confidence: 99%

“…As to the temperature-induced phase transformation, there are a few works focusing on the nucleation behavior from liquid to solid (or crystallization) in HEAs by atomistic simulation [15][16][17][18][19]. Zhang et al [19] characterized the bonding interactions in Al 0.67 CrCoFeNi HEA and found that the low-symmetry Available online at http:// link. sprin ger.…”

Section: Introductionmentioning

confidence: 99%

Characterization of Nucleation Behavior in Temperature-Induced BCC-to-HCP Phase Transformation for High Entropy Alloy

Huang

Liu

Liao

et al. 2021

Acta Metall. Sin. (Engl. Lett.)

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Phase transformation is one of the essential topics in the studies on high entropy alloys (HEAs). However, characterization of the nucleation behavior in the phase transformation for HEAs is still challenging through experimental methods. In the present work, HfNbTaTiZr HEA was chosen as the representative material, and molecular dynamics/Monte Carlo (MD/ MC) simulations were performed to investigate the nucleation behavior in temperature-induced BCC-to-HCP transformation for this HEA system. The results indicate that Nb-Ta, Ti-Zr, Hf-Zr and Hf-Ti atom pairs are preferred in the BCC solid solution of HfNbTaTiZr HEA and Hf-Ti-Zr-rich atom cluster with chemical short range order acts as the nucleation site for HCP phase. The nucleation process follows the non-classical two-step nucleation model: BCC-like structure with severe lattice distortion forms first and then HCP structure nucleates from the BCC-like structure. Moreover, at low temperature, the BCC-to-HCP nucleation hardly occurs, and the BCC solid solution is stabilized. The present work provides more atomic details of the nucleation behavior in temperature-induced BCC-to-HCP phase transformation for HEA, and can help in deep understanding of the phase stability for HEAs.

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Structural and bonding transformation of Al0.67CrCoCuFeNi high-entropy alloys during quenching

Cited by 16 publications

References 34 publications

Deformation mechanisms of Inconel-718 at the nanoscale by molecular dynamics

Deformation mechanisms of Inconel-718 at the nanoscale by molecular dynamics

Composition Design and Tensile Properties of Additive Manufactured Low Density Hf-Nb-Ta-Ti-Zr High Entropy Alloys Based on Atomic Simulations

Characterization of Nucleation Behavior in Temperature-Induced BCC-to-HCP Phase Transformation for High Entropy Alloy

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