Molecular dynamics simulations of tensile response for FeNiCrCoCu high-entropy alloy with voids

Gao, Tinghong; Han, Song; Wang, Bei; Gao, Yue; Liu, Yutao; Xie, Quan; Chen, Qian; Xiao, Qingquan; Liang, Yongchao

doi:10.1016/j.ijmecsci.2022.107800

Cited by 54 publications

(10 citation statements)

References 85 publications

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“…The stair-rod dislocations do not slip in the slip plane (111) and (1 11) and are stationary, thus inducing material work hardening. This is in agreement with the results obtained in the literature [46].…”

Section: Effect Of Particle Radiussupporting

confidence: 94%

Atomic simulation of the effect of supersonic fine particle bombardment process parameters on the mechanical properties of polycrystalline γ-TiAl alloy

Cao

Zhou

et al. 2023

Modelling Simul. Mater. Sci. Eng.

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γ-TiAl alloys are the most promising lightweight high-temperature structural materials, but the materials often fail from the surface, which is mainly attributed to the stress state of the material surface. In this paper, the orthogonal experiment method and molecular dynamics modeling are used to choose a set of the best process parameters for supersonic fine particle bombardment. Furthermore, by determining the optimal process parameters, this study examines the influence of residual stress distribution on the mechanical properties of the material under various process conditions. The simulation results reveal that the residual stress distribution is minimally impacted by particle radius, nonetheless, maintaining a moderate level of compressive residual stress within a specific range can substantially augment both the tensile strength and indentation hardness. An increase in the number of particles results in a more uniform distribution of surface residual stresses. Conversely, an increase in the number of impacts causes stress concentration to intensify at the particle's contact point, and thus a deeper distribution of residual stress is observed. This study illustrates how the mechanical properties of polycrystalline γ-TiAl alloy are affected by the process parameters of supersonic fine particle bombardment in terms of atomic size in order to develop and select the optimal supersonic fine particle bombardment parameters.

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Section: Effect Of Particle Radiussupporting

confidence: 94%

Atomic simulation of the effect of supersonic fine particle bombardment process parameters on the mechanical properties of polycrystalline γ-TiAl alloy

Cao

Zhou

et al. 2023

Modelling Simul. Mater. Sci. Eng.

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“…In recent years, MD simulations were widely utilized to study the mechanical properties and deformation mechanisms of the HEAs. The predicted results from these MD simulations [26][27][28][29][30][31][32] can not only agree well with the experimental data but also reveal the new deformation mechanisms at microscale that is difficult to obtain in experiments.…”

Section: Introductionsupporting

confidence: 72%

“…Despite the remarkable progress in the studies of mechanical performances of HEAs, most of the investigations have concentrated on the mechanical properties of HEAs in one deformation path (such as tension or compression). [17][18][19][20][21][22][23][24][28][29][30] There has been little attention paid to the deformation behaviors of HEAs under both uniaxially tensile and compressive loadings. The vast majority of published literature report that the tension-compression asymmetry commonly exists in the nanoscale conventional metals and alloys [33][34][35][36][37][38][39][40] and inorganic composite materials.…”

Section: Introductionmentioning

confidence: 99%

Atomistic evaluation of tension–compression asymmetry in nanoscale body-centered-cubic AlCrFeCoNi high-entropy alloy

Xing 邢,

Liu 刘

2024

Chinese Phys. B

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The tension and compression of face-centered-cubic high-entropy alloy (HEA) nanowires are significantly asymmetric, but the tension-compression asymmetry in nanoscale body-centered-cubic (BCC) HEAs is still unclear. In this study, the tension-compression asymmetry of the BCC AlCrFeCoNi HEA nanowire is investigated using molecular dynamics simulations. The results show a significant asymmetry in both the yield and flow stresses, with BCC HEA nanowire stronger under compression than under tension. The strength asymmetry originates from the completely different deformation mechanisms in tension and compression. In compression, atomic amorphization dominates plastic deformation and contributes to the strengthening, while in tension, deformation twinning prevails and weakens the HEA nanowire. The tension-compression asymmetry exhibits a clear trend of increasing with the increasing nanowire cross-sectional edge length and decreasing temperature. In particular, the compressive strengths along the [001] and [111] crystallographic orientations are stronger than the tensile counterparts, while the [110] crystallographic orientation shows the exactly opposite trend. The dependences of tension-compression asymmetry on the cross-sectional edge length, crystallographic orientation, and temperature are explained in terms of the deformation behavior of HEA nanowire as well as its variations caused by the change in these influential factors. These findings may deepen our understanding of the tension-compression asymmetry of the BCC HEA nanowires.

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“…In particular, MD simulation has been widely adopted in probing the pertinent deformation mechanism in HEA materials. 31–37…”

Section: Simulation Methodologymentioning

confidence: 99%

Thermal stress-assisted formation of submicron pillars from a thin film of CoCrCuFeNi high entropy alloy: experiments and simulations

Yoon,

Kimura,

et al. 2023

RSC Adv.

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Molecular dynamics simulations of tensile response for FeNiCrCoCu high-entropy alloy with voids

Cited by 54 publications

References 85 publications

Atomic simulation of the effect of supersonic fine particle bombardment process parameters on the mechanical properties of polycrystalline γ-TiAl alloy

Atomic simulation of the effect of supersonic fine particle bombardment process parameters on the mechanical properties of polycrystalline γ-TiAl alloy

Atomistic evaluation of tension–compression asymmetry in nanoscale body-centered-cubic AlCrFeCoNi high-entropy alloy

Thermal stress-assisted formation of submicron pillars from a thin film of CoCrCuFeNi high entropy alloy: experiments and simulations

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