In this paper, the finite element method is utilized to evaluate the behavior of the armchair phosphorene nanotubes under the compressive loading. The energy equations of the molecular and structural mechanics are used to obtain the elemental properties. The critical compressive forces of various armchair phosphorene nanotubes are computed with clamped-clamped and clamped-free boundary conditions. Results show that the stability of armchair phosphorene nanotubes increases with increasing nanotube aspect ratio, particularly under clamped-clamped boundary conditions. Finally, the buckling mode shapes of armchair phosphorene nanotubes under different boundary conditions are compared. Our work offers valuable insights into how these nanotubes respond to mechanical stress, helps determine elemental properties, and investigates the effects of nanotube geometry and different boundary conditions on their stability. This knowledge has broad applications in fields like nanotechnology, materials science, and nanomechanics, advancing the understanding of nanoscale materials and their potential for various practical uses.
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http://dx.doi.org/10.1016/j.jmgm.2024.108751 | DOI Listing |
Sci Rep
September 2024
Department of Physical Chemistry, School of Chemistry, College of Science, University of Tehran, Tehran, Iran.
Borophene, a novel two-dimensional material unveiled in 1998, has garnered significant interest among researchers due to its distinct mechanical and electrical characteristics. Efforts to experimentally synthesize borophene continue to captivate researchers' interest in recent years. Given the current lack of experimental studies on the interaction between water and the borophene surface, molecular dynamics simulation offers a valuable approach for predicting the substance's reactivity with water.
View Article and Find Full Text PDFPhys Chem Chem Phys
July 2024
School of Architecture and Civil Engineering, Shenyang University of Technology, Shenyang 110870, China.
The thermal anisotropy of materials holds significant theoretical and practical implications in the domains of thermal transport and thermoelectricity. Black phosphorene, a novel two-dimensional (2D) semiconductor, is notable for its exceptional chemical and physical properties, attracting substantial attention for its thermal transport characteristics. Similar to other 2D materials, black phosphorene exhibits pronounced in-plane thermal anisotropy.
View Article and Find Full Text PDFJ Phys Condens Matter
May 2024
Institute of Physics and International Center of Physics, University of Brasília, 70919-970 Brasília, Distrito Federal, Brazil.
Phosphorene is a recently developed two-dimensional (2D) material that has attracted tremendous attention because of its unique anisotropic optical properties and quasi-one-dimensional (1D) excitons. We use first-principles calculations combined with the maximally localized Wannier function tight binding Hamiltonian and Bethe-Salpeter equation (BSE) formalism to investigate quasiparticle effects of 2D and quasi-1D blue and black phosphorene nanoribbons. Our electronic structure calculations shows that both blue and black monolayered phases are semiconductors.
View Article and Find Full Text PDFPhys Chem Chem Phys
April 2024
Atomic Molecular and Optical Physics Research Group, Institute for Advanced Study in Technology, Ton Duc Thang University, Ho Chi Minh City, Vietnam.
This study investigates the optical absorption of monolayer phosphorene, focusing on its response to the electron-phonon coupling (EPC) and an electric field. Using a tight-binding Hamiltonian model based on the Barišic-Labbe-Friedel-Su-Schrieffer-Heeger model and the Kubo formula, we calculate the electronic band structure and optical absorption characteristics. The anisotropic dispersion of carriers along armchair and zigzag directions leads to distinct optical responses.
View Article and Find Full Text PDFJ Mol Graph Model
June 2024
Faculty of Mechanical Engineering, University of Guilan, P.O. Box 3756, Rasht, Iran.
In this paper, the finite element method is utilized to evaluate the behavior of the armchair phosphorene nanotubes under the compressive loading. The energy equations of the molecular and structural mechanics are used to obtain the elemental properties. The critical compressive forces of various armchair phosphorene nanotubes are computed with clamped-clamped and clamped-free boundary conditions.
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