Mechanical properties of the hexagonal boron nitride monolayer: Ab initio study
By Qiuming Peng, A. Zamiri, Suvranu De. 2011
405 citations recorded by the source corpus.
Abstract Using density functional theory (DFT) calculations we found that hexagonal boron nitride monolayer (h-BN) shows a non-linear elastic deformation up to an ultimate strength followed by a strain softening to the failure. To develop a continuum based model for such non-linear behavior, we proposed a method to study high order elastic constants of the 2D hexagonal structures. The continuum description of the elastic properties of monolayer h-BN is obtained using this method through ab initio density functional theory. This rigorous continuum description of the elastic response is formulated by expanding the elastic strain energy density in a Taylor series in strain truncated after the fifth-order term. we obtained a total of fourteen non-zero independent elastic constants for up to tenth-order tensor.
Subfields: Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/159ef27d27dc8ec887f493633e8b80e06b32eea1
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Citations in the corpus
- Mechanics and Mechanically Tunable Band Gap in Single-Layer Hexagonal Boron-Nitride (2013, background): “have investigated the uniaxial tensile and compressive stress– strain response of h-BN [24] with deformation in the transverse being constrained to some extent.”
- The influence of fatty acids on tribological and thermal properties of natural oils as sustainable biolubricants (2015, methodology): “The disks were made from 2024 aluminum alloy [19,48] having dimensions of 70 mm in diameter and 6.”
- A review on mechanics and mechanical properties of 2D materials—Graphene and beyond (2016, methodology): “Beyond graphene, the elastic properties of other 2D materials have also been theoretically predicted by both first principles [5, 46, 60-65] and empirical potential based calculations [66-70].”
- The Size Effect of Boron Nitride Particles on the Tribological Performance of Biolubricants for Energy Conservation and Sustainability (2013, background): “It is also environmentally friendly and inert to most chemicals [46].”