FCC-BCC phase transformation induced simultaneous enhancement of tensile strength and ductility at high strain rate in high-entropy alloy

Wu, Yong-Chao; Shao, Jian-Li

doi:10.1016/j.ijplas.2023.103730

Cited by 43 publications

(3 citation statements)

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“…It is found that the [001] sample exhibits the highest spall strength compared to the [110] and [111] samples for all shock intensities, which can be attributed to the FCC to BCC transformation during the tension stage [22], as shown in Figure 7. Our previous work [47] also demonstrates that the ultimate strength for this HEA along [001] direction is higher than that along [110] and [111] directions under uniaxial strain tension loading at a strain rate of 10 9 /s, which is highly consistent with the present results. These results demonstrate a significant anisotropy of crystalline orientation in the dynamic responses of HEAs.…”

Section: Spall Strengthsupporting

confidence: 92%

Unraveling Anisotropy in Crystalline Orientation under Shock-Induced Dynamic Responses in High-Entropy Alloy Co25Ni25Fe25Al7.5Cu17.5

Wu,

Shao

2023

Nanomaterials

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Shock-induced plastic deformation and spall damage in the single-crystalline FCC Co25Ni25Fe25Al7.5Cu17.5 high-entropy alloy (HEA) under varying shock intensities were systematically investigated using large-scale molecular dynamics simulations. The study reveals the significant influence of crystalline orientation on the deformation mechanism and spall damage. Specifically, the shock wave velocities in the [110] and [111] directions are significantly higher than that in the [001] direction, resulting in a two-zone elastic-plastic shock wave structure observed in the [110] and [111] samples, while only a single-wave structure is found in the [001] sample. The plastic deformation is dominated by the FCC to BCC transformation following the Bain path and a small amount of stacking faults during the compression stage in the [001] sample, whereas it depends on the stacking faults induced by Shockley dislocation motion in the [110] and [111] samples. The stacking faults and phase transformation in the [001] sample exhibit high reversibility under release effects, while extensive dislocations are present in the [110] and [111] samples after release. Interestingly, tension-strain-induced FCC to BCC phase transformation is observed in the [001] sample during the release stage, resulting in increased spall strength compared to the [110] and [111] samples. The spall strength estimated from both bulk and free surface velocity history shows reasonable consistency. Additionally, the spall strength remains stable with increasing shock intensities. The study discusses in detail the shock wave propagation, microstructure change, and spall damage evolution. Overall, our comprehensive studies provide deep insights into the deformation and fracture mechanisms of Co25Ni25Fe25Al7.5Cu17.5 HEA under shock loading, contributing to a better understanding of dynamic deformation under extreme environments.

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Section: Spall Strengthsupporting

confidence: 92%

Unraveling Anisotropy in Crystalline Orientation under Shock-Induced Dynamic Responses in High-Entropy Alloy Co25Ni25Fe25Al7.5Cu17.5

Wu,

Shao

2023

Nanomaterials

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“…Furthermore, the elongation of the IN718G alloy surpasses that of the IN718 alloy, suggesting that the novel IN718G alloy exhibits superior mechanical properties. In order to comprehend the dislocation evolution with varying alloy compositions, OVITO software was employed to obtain data on the distribution of dislocations under different strains [51]. During the elastic deformation stage, both alloys exhibited a linear increase in stress, and no discernible lattice distortion was observed at the atomic level during tensile tests.…”

Section: Alloy Design Processmentioning

confidence: 99%

A novel IN718 superalloy of superior mechanical properties designed by the first principle and D-electron theory

Li,

Chen,

wang

et al. 2023

Preprint

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A novel IN718 superalloy has been designed based on the commercial IN718 alloy to improve its service performance in the aerospace field. Firstly, first principle calculations were performed to determine the total energy, formation enthalpy, and binding energy of the γ-Ni phase, Laves-Fe2Nb phase, and γ-Ni/Fe2Nb interface model doped with Co, Cr, Mo, V, and Zr atoms in IN718 superalloy. The calculation results reveal the influence of various atoms doping on the typical phases of the IN718 superalloy. Secondly, 8488 group’s suitable alloy composition data were selected from 831600 group’s datasets by D-electron theory and Python programs. Subsequently, the optimal alloy components were determined by thermodynamic calculations using the control variable. Finally, molecular dynamics tensile simulations and mechanical properties tests were conducted to validate the mechanical properties of the optimized superalloy. This entire calculation process serves as a reference for designing other alloy compositions.

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“…Another hardness enhancement mechanism that is completely different from diamond is the defect (twinning)-induced structural stabilizing mechanism in B 4 C, which reduces energy by releasing the native strains built in the single crystal, forming a highly nanotwinned structure that is more stable than the single-crystal structure . The structural twinning approach has mainly been applied to study the structural and mechanical properties of metals and strong covalent solids with simple structures that exhibit improved and more versatile mechanical characteristics. − A pressing task is to explore fascinating nanotwinned structures in various covalent solids with complex bond structures, which may lead to the optimization of mechanical properties and fundamental understanding of the underlying physics. − Herein, we selected single-crystal B 13 CN (sc-B 13 CN) with improved structural stability and mechanical properties as a structural prototype to construct nanotwinned B 13 CN (nt-B 13 CN). We subsequently analyzed the mechanical properties and structural deformation modes of nt-B 13 CN under large strains.…”

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Structural and Stress Response of Nanotwinned B₁₃CN under Large Strains

Liang,

Wang,

Song

et al. 2023

J. Phys. Chem. Lett.

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Boron-rich carbides with icosahedral cages as pivotal structural units, which exhibit high hardness and low density, have promising industrial applications. However, the insufficient fracture toughness of these materials hinders their engineering applications. A recent first-principles study revealed that single-crystal B 13 CN (sc-B 13 CN) exhibits interesting structural deformation modes and superior mechanical properties to boron-rich carbides, prompting us to further explore this intriguing material. Herein, we adopted sc-B 13 CN as an archetypal system owing to its excellent structural and mechanical properties to construct nanotwinned B 13 CN (nt-B 13 CN) and explore its mechanical properties and structural deformation modes under large strains. We unraveled the specific stress−strain relationship of nt-B 13 CN and the considerable effect of twinning on its structural deformation modes under diverse loading conditions. Our results indicate that twinning leads to interesting structural deformation patterns and is extremely beneficial to improving the structural stability and mechanical properties of boron-rich materials. The current results provide an improved understanding of the theoretical design for various nanotwinned boron-rich materials with intricate bonding configurations.

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FCC-BCC phase transformation induced simultaneous enhancement of tensile strength and ductility at high strain rate in high-entropy alloy

Cited by 43 publications

References 59 publications

Unraveling Anisotropy in Crystalline Orientation under Shock-Induced Dynamic Responses in High-Entropy Alloy Co25Ni25Fe25Al7.5Cu17.5

Unraveling Anisotropy in Crystalline Orientation under Shock-Induced Dynamic Responses in High-Entropy Alloy Co25Ni25Fe25Al7.5Cu17.5

A novel IN718 superalloy of superior mechanical properties designed by the first principle and D-electron theory

Structural and Stress Response of Nanotwinned B₁₃CN under Large Strains

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FCC-BCC phase transformation induced simultaneous enhancement of tensile strength and ductility at high strain rate in high-entropy alloy

Cited by 43 publications

References 59 publications

Unraveling Anisotropy in Crystalline Orientation under Shock-Induced Dynamic Responses in High-Entropy Alloy Co25Ni25Fe25Al7.5Cu17.5

Unraveling Anisotropy in Crystalline Orientation under Shock-Induced Dynamic Responses in High-Entropy Alloy Co25Ni25Fe25Al7.5Cu17.5

A novel IN718 superalloy of superior mechanical properties designed by the first principle and D-electron theory

Structural and Stress Response of Nanotwinned B13CN under Large Strains

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Structural and Stress Response of Nanotwinned B₁₃CN under Large Strains