Atomic-Scale Finite Element Modelling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons

Nanoribbons are crucial nanostructures due to their superior mechanical and electrical properties. Paper is devoted to the hybrid studies of the elastic mechanical anisotropy of phosphorene nanoribbons whose edges connect the terminals of devices like bridges. The fundamental mechanical properties such as Young's modulus, Poisson's ratio, and density were estimated from the first principles for 1-layer, 3-layer, and 6-layer nanoribbons with 10 Å of width. The data achieved from the ab-initio simulations supplied the Finite Element Modelling (FEM) of the nanoribbons.The strain pressure curves' directional coefficients were estimated as Young's effective modulus since the structure is 1D. The modulus values were equal to 85.8, 111.8, and 134 GPa for 6, 3 and 1 layers, respectively. Moreover, the variation of Poison's coefficient for the armchair direction was significantly smaller than for zigzag. The monotonic changes of this twist were observed for structures with 3 and 6 layers within the plane along the zigzag axis. The phosphorene nanoribbons subjected to a periodic excitation behaved similarly to those subjected to static loading, while their whippiness is inversely proportional to the length. Next, the deflection under the static force, the resonance frequencies, and the response to a variable driving force were calculated