Effect of Nanovoid on Deformation Behavior of Ni/Ni3Al Nanowires: Atomisitic Simulation

doi:10.19596/j.cnki.1001-246x.8508

Abstract

Abstract:

Deformation process of Ni/Ni₃Al nanowires under uniaxial tension was studied with molecular dynamics simulation. It showed that the deformation behavior of Ni/Ni₃Al nanowire is composed of elastic deformation and plastic deformation. The stress increased linearly with incremental strain in elastic deformation. The elastic modulus fitted from stress-strain relation is about 120 GPa, which os lower than those of bulk materials. It indicated that nanovoid has great impact on mechanical properties of Ni/Ni₃Al nanowires. It restrains effectively the crystalline glide.

Key words: deformation behavior, nanovoid, Ni/Ni₃Al nanowire, atomisitc simulation

Xiyuan YANG. Effect of Nanovoid on Deformation Behavior of Ni/Ni₃Al Nanowires: Atomisitic Simulation[J]. Chinese Journal of Computational Physics, 2022, 39(6): 727-732.

Figures/Tables 4

Fig.1 A profile map of initial atomic structure of Ni/Ni3Al nanowire (a) 3D model; (b) A y-z cross-sectional profile(The upper half is γ phase and the lower half is γ′ phase.)

Fig.2 Stress-strain curve of Ni/Ni3Al nanowire at 300 K

Fig.3 Applied strain dependence of average atomic energy of Ni/Ni3Al nanowire at 300 K

Fig.4 Snapshots of deformation behaviours of Ni/Ni3Al nanowire with nanovoid(The green arrow represents direction of crystalline lattice glide at 300 K.) (a) Δε = 7.0%; (b) Δε = 7.4%; (c) Δε = 10.8%; (d) Δε = 11.2%; (e) Δε = 14.2%; (f)Δε = 14.6%

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Effect of Nanovoid on Deformation Behavior of Ni/Ni₃Al Nanowires: Atomisitic Simulation

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