Determining the Mechanical Properties of Two-Dimensional 1T-ScX2 Materials
Received: 13 January 2025 | Revised: 12 February 2025 and 02 March 2025 | Accepted: 6 March 2025 | Online: 1 April 2025
Corresponding author: Van Trang Nguyen
Abstract
This study examines the mechanical properties of two-dimensional (2D) materials consisting of scandium and non-metallic elements X (1T-ScX₂, X = O, S, Se, or Te). These parameters , including the elastic modulus, Poisson's ratio, stress, and tensile strain were analyzed using the Atomic Finite Element Method (AFEM) with the Stillinger-Webber potential function. The results revealed that the elastic modulus, Et of 1T-ScX₂, ranged from 29.39 to 100.69 N/m, Poisson's ratio from 0.142 to 0.215, maximum stress, st, from 3.52 to 11.69 N/m, and tensile strain at break from 0.221% to 0.283%. These findings were then compared to the results of a previous study under the similar conditions. The differences were slight, with errors ranging from -2.03% to 1.21% for Et, -5.33% to -1.67% for Poisson's ratio, -5.2% to 6.8% for maximum tensile stress, and -8.97% to 1.3% for tensile strain at maximum stress. As the elastic modulus and Poisson's ratio in both studies were quite similar, it can be assumed that 1T-ScX₂ are isometric materials. These findings contribute to the design and application of 2D materials in nanotechnology.
Keywords:
Stillinger-Weber, two-dimensional materials, 1T structures, finite elements, tensile testsDownloads
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