2016/09/28 by Minh Quy Le, Minh-Quy Le, Bohayra Mortazavi +1
Chemistry · Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #Fullerene Chemistry and Applications #MXene and MAX Phase Materials #cond-mat.mtrl-sci
paper · pdf · doi:10.1088/0957-4484/27/44/445709
published as Nanotechnology 2016, 27 (44), 445709
openalex publication_date 2016/09/28 · arxiv created 2017/03/17 · arxiv updated 2017/04/17 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30
The most recent experimental advances could provide ways for the fabrication of several atomic thick and planar forms of boron atoms. For the first time, we explore the mechanical properties of five types of boron films with various vacancy ratios ranging from 0.1 to 0.15, using molecular dynamics simulations with ReaxFF force field. It is found that the Young's modulus and tensile strength decrease with increasing the temperature. We found that boron sheets exhibit an anisotropic mechanical response due to the different arrangement of atoms along the armchair and zigzag directions. At room temperature, 2D Young's modulus and fracture stress of these five sheets appear in the range 63 N/m and 12 N/m, respectively. In addition, the strains at tensile strength are in the ranges of 9, 11, and 10 percent at 1, 300, and 600 K, respectively. This investigation not only reveals the remarkable stiffness of 2D boron, but establishes relations between the mechanical properties of the boron sheets to the loading direction, temperature and atomic structures.