Jiye Wu

Dr. Jiye Wu


Research Focus & Metrics

Academic Career Length

6Years (2021-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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18 November 2021 in Nanomaterials
Verified
Journal Article
Open access
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KHKun Huang
Kun Huang
JWJiye Wu
Jiye Wu
YYYajun Yin
Yajun Yin
Through the continuity of the DREIDING force field, we propose, for the first time, the finite-deformation plate theory for the single-layer hexagonal boron nitride (h-BN) to clarify the atomic source of the structure against deformations. Divergent from the classical Föppl-von Karman plate theory, our new theory shows that h-BN’s two in-plane mechanical parameters are independent of two out-of-plane mechanical parameters. The new theory reveals the relationships between the h-BN’s elastic rigidities and the atomic force field: (1) two in-plane elastic rigidities come from the bond stretching and the bond angle bending; (2) the bending rigidity comes from the inversion angle and the dihedral angle torsion; (3) the Gaussian rigidity only comes from the dihedral angle torsion. Mechanical parameters obtained by our theory align with atomic calculations. The new theory proves that two four-body terms in the DREIDING force field are necessary to model the h-BN’s mechanical properties. Overall, our theory establishes a foundation to apply the classical plate theory on the h-BN, and the approach in this paper is heuristic in modelling the mechanical properties of the other two-dimensional nanostructures.