Crystallographic-orientation-dependence plasticity of niobium under shock compressions

Li, Pan; Huang, Yongfeng; Wang, Kun; Xiao, Shifang; Wang, Liang; Yao, Songlin; Zhu, Weiliang; Hu, Wangyu

doi:10.1016/j.ijplas.2021.103195

Cited by 19 publications

(2 citation statements)

References 61 publications

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“…Embedding energy is usually an unknown function of electron density (r i ), and several forms can be chosen. In this current REAM potential, the function of embedding energy [27,28] is expressed as…”

Section: Response Eam Potentialmentioning

confidence: 99%

“…where g g k , , g 0 are the parameters of the model. Since the polynomial spline function does not have to be limited by the analytical form and has sufficient flexibility, the response function and the pairwise interaction are also fitted by a standard cubic spline function in this potential, and the pairwise interaction [27][28][29] is defined as…”

Section: Response Eam Potentialmentioning

confidence: 99%

See 1 more Smart Citation

Response embedded atom model potential of Pb at finite temperature: application on the dislocation mobility

Li¹,

Huang²,

Wang³

et al. 2023

Phys. Scr.

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Dislocation is a major carrier of plastic deformation for metal materials and are crucial. Understanding the mechanism of dislocation motion is beneficial for understanding the plastic deformation of materials under dynamic loading. In this work, a new response EAM (REAM) potential is developed for the applications under high pressure and finite temperature conditions. We use the REAM potential to investigate the behaviors of edge and screw dislocations in Pb by molecular dynamics (MD) simulations, and compare it with two commonly used EAM potentials. Specially, we examine the influence of the stacking fault energy and the temperature-dependent elastic constants on the dislocation motions. Our results show that the temperature-dependent elastic constants do not considerably affect the dislocation motion at the linear region of low stress, while the stacking fault energy plays a significant role. In the nonlinear region, the stacking fault energy and elastic constant together influence the dislocation motion. In subsonic and low transonic regimes, the dislocation width oscillates with time, but eventually fluctuates around equilibrium width.

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Section: Response Eam Potentialmentioning

confidence: 99%

Section: Response Eam Potentialmentioning

confidence: 99%

Response embedded atom model potential of Pb at finite temperature: application on the dislocation mobility

Li¹,

Huang²,

Wang³

et al. 2023

Phys. Scr.

Self Cite

View full text Add to dashboard Cite

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Dynamic damage response of sing-crystal NiTi alloys induced by shear localization

Zhang,

Yang,

Yang

et al. 2024

Acta Mech. Sin.

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Transformation- and twinning-induced plasticity in phase-separated bcc Nb-Zr alloys: an atomistic study

Hasan,

Srinivasan,

Choudhuri

2023

J Mater Sci

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Several high-temperature body-centered cubic (bcc) structural materials such as Nb-, Zr- and Ti-based alloys undergo phase separation, which is a second-order phase transformation, whereby the host lattice decomposes into distinct bcc domains with different compositions. Using atomistic simulations, we studied the high-strain-rate response of bcc-forming Nb–xZr (x = 0, 25, 50 at.%) alloys. To induce phase separation in our starter alloy, we first employed hybrid Monte Carlo/Molecular Dynamics simulations in single crystals of Nb–xZr at 1000 K. Subsequently, these crystals were deformed along different crystallographic orientations ($$\langle 001\rangle$$ ⟨ 001 ⟩ , $$\langle 110\rangle$$ ⟨ 110 ⟩ and $$\langle 111\rangle$$ ⟨ 111 ⟩ ) at a strain rate of $$10^{+8} s^{-1}$$ 10 + 8 s - 1 , to investigate orientation dependent mechanical response. The phase-separated Nb–xZr microstructures exhibited distinct bcc domains enriched in either Zr or Nb. Notably, Nb-50 at.%Zr contained coarser Zr-domains compared to Nb-25 at.%Zr. The Zr-rich domains acted as “soft” inclusions, resulting in reduced peak strengths in the following order: pure Nb (Nb-0 at.%Zr) > Nb-25 at.%Zr > Nb-50 at.%Zr. This implies that phase separation causes softening in Nb–xZr. We also discovered two deformation pathways that depended on the crystallographic orientation: (i) For deformation along $$\langle 110\rangle$$ ⟨ 110 ⟩ and $$\langle 111\rangle$$ ⟨ 111 ⟩ directions: Elastic deformation was followed by dislocation plasticity on $$\{110\}\langle 111\rangle$$ { 110 } ⟨ 111 ⟩ slip systems; and (ii) For deformation along $$\langle 001\rangle$$ ⟨ 001 ⟩ direction: Elastic deformation was followed by the formation of a volumetric fcc structure, twinning on {112}$$\langle 111\rangle$$ ⟨ 111 ⟩ system, and the formation fcc-phase at the twin/matrix interfacial regions. This was ultimately accompanied by dislocation plasticity on $$\{110\}\langle 111\rangle$$ { 110 } ⟨ 111 ⟩ slip system. The bcc$$\rightarrow$$ → fcc displacive transformation facilitated {112}$$\langle 111\rangle$$ ⟨ 111 ⟩ twinning when Nb–xZr was deformed along $$\langle 001\rangle$$ ⟨ 001 ⟩ . Our investigation shows that softening of bcc alloys can result from a coupling of mechanisms involving local solute segregation, displacive phase transformation and twinning occurring across multiple slip planes.

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Crystallographic-orientation-dependence plasticity of niobium under shock compressions

Cited by 19 publications

References 61 publications

Response embedded atom model potential of Pb at finite temperature: application on the dislocation mobility

Response embedded atom model potential of Pb at finite temperature: application on the dislocation mobility

Dynamic damage response of sing-crystal NiTi alloys induced by shear localization

Transformation- and twinning-induced plasticity in phase-separated bcc Nb-Zr alloys: an atomistic study

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