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• W3120374080 abstract "Applying classical molecular dynamics simulations, we report the effects of length (λ) and orientation (θ) of a line-defect on strength and toughness in defective 2D hexagonal boron nitride. Results reveal the existence of a “transition angle,” θt=2.47°, at which both toughness and strength are insensitive to the finite length of the defect in an infinite domain. For θ&lt;θt, both toughness and strength increase with an increase in defect-length; whereas, for θ&gt;θt, they show the opposite behavior. Examination of the stress-fields shows that θ-dependent variation in stress-localization at the edges of the line-defect and symmetry-breaking of the stress-fields with respect to the defect-axis govern the disparate θ-dependent behavior. For θ&lt;θt, the intensity of elastic fields at the edges of the line-defect is substantially weakened by the elastic interactions originating from the atoms on the sides of the line-defect. For θ&gt;θt, the stress-intensity at the edges is strongly localized at the opposite sides of the line-defect. The stress-intensity increases asymptotically with the increasing defect-length and reduces the strength and toughness of the defective lattice. The stress-localization, however, saturates at a “saturation angle” of around 60° for strength and 30° for toughness. Additionally, there exists a critical defect-length λc=60 Å, below which there is a strong θ-dependent variation in elastic interactions between the edges, affecting strength and toughness substantially. For λ&gt;λc, the elastic interactions saturate and make both strength and toughness insensitive to the change in the length of the defect." @default.
• W3120374080 created "2021-01-18" @default.
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• W3120374080 date "2021-01-04" @default.
• W3120374080 modified "2023-10-13" @default.
• W3120374080 title "Line-defect orientation- and length-dependent strength and toughness in <i>h</i>BN" @default.
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• W3120374080 doi "https://doi.org/10.1063/5.0024846" @default.
• W3120374080 hasPublicationYear "2021" @default.
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