Incipient plasticity and dislocation loop evolution in rock-salt vanadium nitride

Weng, Shayuan; Yue, Xing; Fu, Tao; Chen, Xiang; Long, Xuesong; Peng, Xianghe

doi:10.1016/j.ceramint.2020.01.138

Cited by 10 publications

(3 citation statements)

References 51 publications

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“…With the increase of strain, dislocations are emitted from the crack at the interface between PGr and Cu due to stress concentration, resulting in the rapid decrease of stress. 21,57 The variation of the Young's modulus (E) of the composite with h is shown in Figure 2b, where E is calculated using the following rule of mixture (ROM) 58 =…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Molecular Dynamics Studies on Size Effects in Laminated Polycrystalline Graphene/Copper Composites: Implications for Mechanical Behavior

Weng

Fang

Zhao

et al. 2021

ACS Appl. Nano Mater.

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Nanolaminated graphene/metal composites possess many outstanding mechanical properties due to the high loadbearing capacity of graphene. Considering that actually prepared graphene is usually polycrystalline, in this work, the mechanical responses of nanolaminated polycrystalline graphene/copper (PGr/Cu) composites subjected to uniaxial compression were simulated using the molecular dynamics method. The effects of grain boundary and size (the thickness of the Cu layer, h, and the size of PGr grains, d) on the mechanical properties and the underlying mechanisms were explored. It was found that h affects the mechanical responses in both the elastic and plastic stages, and the mechanical properties of the composites could be enhanced with the decrease of h, while d mainly affects the mechanical behavior in the elastic stage and has a negligible effect on the plastic stage. It was also found that extended dislocations would dominate the plastic deformation of the nanolaminated PGr/Cu composites. Two dislocation propagation paths were observed, and the interfacial barrier that hinders the propagation of dislocations is the primary strengthening mechanism. It was suggested that the confined layer slip model could be extended to predict the strength of the nanolaminated PGr/Cu composites. The results presented would be of great significance for the engineering application of nanolaminated polycrystalline graphene/copper composites.

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Section: ■ Results and Discussionmentioning

confidence: 99%

“…The formation and propagation of cracks would reduce the load-bearing capacity of PGr. With the increase of strain, dislocations are emitted from the crack at the interface between PGr and Cu due to stress concentration, resulting in the rapid decrease of stress. , …”

Section: Resultsmentioning

confidence: 99%

Molecular Dynamics Studies on Size Effects in Laminated Polycrystalline Graphene/Copper Composites: Implications for Mechanical Behavior

Weng

Fang

Zhao

et al. 2021

ACS Appl. Nano Mater.

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“…Despite the rapid development of experimental technology, it is still very challenging to study the evolution of SFTs under shear stress in different directions through experiments. Molecular dynamics (MD) simulations is an effective means to investigate the formation and evolution of microstructures under irradiation (Aidhy et al, 2015;Drouet et al, 2016;Dai et al, 2017;Zhu et al, 2017;Leino et al, 2018;Ke et al, 2019) and various mechanical loading (Weng et al, 2020;Chen et al, 2021;Weng et al, 2021), and the evolution of SFTs (Wu et al, 2018b;Wu et al, 2018c;Zhang et al, 2018;Chen et al, 2020). To study the formation and aggregation of vacancies using MD simulation of irradiation requires a long time and a lot of computing resources.…”

Section: Introductionmentioning

confidence: 99%

Formation and Anisotropic Mechanical Behavior of Stacking Fault Tetrahedron in Ni and CoCrFeNiMn High-Entropy Alloy

Liang

et al. 2022

Front. Mater.

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Stacking fault tetrahedron (SFT) is a kind of detrimental three-dimensional defect in conventional face-centered cubic (FCC) structural metals; however, its formation and anisotropic mechanical behavior in a CoCrFeNiMn high-entropy alloy (HEA) remain unclear. In this work, we first performed molecular dynamics simulations to verify the applicability of the Silcox-Hirsch mechanism in the CoCrFeNiMn HEA. The mechanical responses of the SFT to shear stress in different directions and that of the pure Ni counterpart were simulated, and the evolutions of the atomic structures of the SFTs during shear were analyzed in detail. Our results revealed that the evolution of the SFT has different patterns, including the annihilation of stacking faults, the formation and expansion of new stacking faults, and insignificant changes in stacking faults. It was found that the effects of SFT on the elastic properties of Ni and HEA are negligible. However, the introduction of SFT would reduce the critical stress, while the critical stress of the CoCrFeNiMn HEA is much less sensitive to SFT than that of Ni.

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Molecular dynamics simulation of the tensile response and deformation mechanism of diamond/TiC combinations

Zhou

et al. 2022

Computational Materials Science

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Incipient plasticity and dislocation loop evolution in rock-salt vanadium nitride

Cited by 10 publications

References 51 publications

Molecular Dynamics Studies on Size Effects in Laminated Polycrystalline Graphene/Copper Composites: Implications for Mechanical Behavior

Molecular Dynamics Studies on Size Effects in Laminated Polycrystalline Graphene/Copper Composites: Implications for Mechanical Behavior

Formation and Anisotropic Mechanical Behavior of Stacking Fault Tetrahedron in Ni and CoCrFeNiMn High-Entropy Alloy

Molecular dynamics simulation of the tensile response and deformation mechanism of diamond/TiC combinations

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