Effects of twin boundaries in vanadium nitride films subjected to tensile/compressive deformations

Fu, Tao; Peng, Xianghe; Huang, Cheng; Zhao, Yinbo; Weng, Shayuan; Chen, Xiang; Hu, Ning

doi:10.1016/j.apsusc.2017.07.174

Cited by 20 publications

(7 citation statements)

References 41 publications

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“…The E of the sample under compression is larger than that under tension except for [001] orientation, in consistency with that observed in Cu single crystal [56], which should be ascribed to the higher friction under compression [56]. The rest of curves at the elastic stage under compression deviate from that under tension obviously, which should be ascribed to the asymmetrical tensile and compressive nature of the interatomic potential [57]. After the first peak, it is unclear whether deformation should be attributed to dislocation slip or phase transformation; therefore, this region cannot be seen as inelastic or plastic T/C asymmetry, which differs with others’ works [57–59].…”

Section: Resultssupporting

confidence: 78%

“…The rest of curves at the elastic stage under compression deviate from that under tension obviously, which should be ascribed to the asymmetrical tensile and compressive nature of the interatomic potential [57]. After the first peak, it is unclear whether deformation should be attributed to dislocation slip or phase transformation; therefore, this region cannot be seen as inelastic or plastic T/C asymmetry, which differs with others’ works [57–59]. In the flowing section, the deformation mechanisms of the sample subjected to loadings along different directions will be discussed in details.…”

Section: Resultsmentioning

confidence: 99%

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Anisotropic Phase Transformation in B2 Crystalline CuZr Alloy

Weng

Peng

et al. 2019

Nanoscale Res Lett

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B2 phase copper-zirconium (CuZr) particles are often used as an enhancement agent to improve the toughness of metallic glass; however, the orientation dependence of its phase transformation behaviors under loading remains unclear. In this work, molecular dynamics simulation of uniaxial tension and compression of B2 phase CuZr along different crystallographic orientation are performed to investigate the orientation-related mechanical response and phase transformation mechanisms. It was found that the mechanical behavior of CuZr exhibits obvious tension/compression asymmetry, but their failure mode is mainly local amorphization. Three different phase transformation behaviors, B2→FCC, B2→BCT, and B2→HCP, were observed in tension and compression along [001], and tension along [110], respectively. The transformations are realized by lattice rotation (~ 5°), uniform deformation and separation between Cu and Zr atomic layers, respectively. Before failure by local amorphization, phase transformation region can be recovered after unloading, showing the superelasticity.

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Section: Resultssupporting

confidence: 78%

Section: Resultsmentioning

confidence: 99%

Anisotropic Phase Transformation in B2 Crystalline CuZr Alloy

Weng

Peng

et al. 2019

Nanoscale Res Lett

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“…Molecular dynamics simulation (MD) can serve as an effective means to gain an insight into the microstructure in NG ceramics and their evolution during deformation. MD simulation has been widely adopted to investigate different kinds of mechanical response of various atomic structures, such as dislocations [25,26], nano-twin boundaries [27,28], and shear bands [13,29], etc. with the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) algorithm [30].…”

Section: Introductionmentioning

confidence: 99%

Super Ductility of Nanoglass Aluminium Nitride

et al. 2019

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Ceramics have been widely used in many fields because of their distinctive properties, however, brittle fracture usually limits their application. To solve this problem, nanoglass ceramics were developed. In this article, we numerically investigated the mechanical properties of nanoglass aluminium nitride (ng-AlN) with different glassy grain sizes under tension using molecular dynamics simulations. It was found that ng-AlN exhibits super ductility and tends to deform uniformly without the formation of voids as the glassy grain size decreases to about 1 nm, which was attributed to a large number of uniformly distributed shear transformation zones (STZs). We further investigated the effects of temperature and strain rate on ng-AlNd = 1 nm, which showed that temperature insignificantly influences the elastic modulus, while the dependence of the ultimate strength on temperature follows the T2/3 scaling law. Meanwhile, the ultimate strength of ng-AlNd = 1 nm is positively correlated with the strain rate, following a power function relationship.

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“…Then, the sample is relaxed at 10 K using a Nose-Hoover (NPT) thermostat for 40 ps to reach a thermal equilibrium state. To our knowledge [ 30 , 31 , 32 , 33 , 34 ], the relaxation time of 40 ps is sufficiently long for a sample to an equilibration state. For example, Fu et al [ 33 ] relaxed the nanotwinned vanadium nitride at T = 300 K for 30 ps.…”

Section: Methodsmentioning

confidence: 99%

“…To our knowledge [ 30 , 31 , 32 , 33 , 34 ], the relaxation time of 40 ps is sufficiently long for a sample to an equilibration state. For example, Fu et al [ 33 ] relaxed the nanotwinned vanadium nitride at T = 300 K for 30 ps. As the time step for MD simulations is of fs, high indentation speed of 10–100 m/s is commonly used to perform MD nanoindentation simulations [ 35 , 36 , 37 , 38 , 39 ].…”

Section: Methodsmentioning

confidence: 99%

Investigation of Interaction between Dislocation Loop and Coherent Twin Boundary in BCC Ta Film during Nanoindentation

et al. 2017

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In this work, the interaction between dislocation loop (DL) and coherent twin boundary (CTB) in a body-centered cubic (BCC) tantalum (Ta) film during nanoindentation was investigated with molecular dynamics (MD) simulation. The formation and propagation of <111> full DLs in the nanotwinned (nt) Ta film during the indentation was observed, and it was found that CTB can strongly affect the stress distribution in the Ta film, and thus change the motion and type of dislocations. There are three kinds of mechanisms for the interaction between DL and CTB in a twinned BCC Ta film: (i) dislocation absorption, (ii) dislocation desorption, and (iii) direct slip transmission. The nucleation of twin boundary dislocations and the formation of the steps in CTB were also observed during the indentation. The mechanisms presented in this work can provide atomic images for understanding the plastic deformation of BCC metals with mirror-symmetry grain boundary structures, and provide available information for the evaluation and design of high-performance nt BCC metallic thin film coatings.

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Effects of twin boundaries in vanadium nitride films subjected to tensile/compressive deformations

Cited by 20 publications

References 41 publications

Anisotropic Phase Transformation in B2 Crystalline CuZr Alloy

Anisotropic Phase Transformation in B2 Crystalline CuZr Alloy

Super Ductility of Nanoglass Aluminium Nitride

Investigation of Interaction between Dislocation Loop and Coherent Twin Boundary in BCC Ta Film during Nanoindentation

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