Geometric analysis of the properties of germanene using Lifson-Wershel potential function
Abstract
Numerous experiments on graphene, which is a 2D carbon material with excellent mechanical and electrical properties, have been carried out in recent years. By recognizing the properties of graphene, the researchers focused on other two-dimensional materials. Several studies have been done on graphene, but other two-dimensional structures have not yet been studied extensively. In this work, Germanene’s simulation of molecular dynamics was performed and Germanene’s stress-strain curve was obtained. The mechanical properties of Germanene have been investigated by practicing the proposed method of structural molecular mechanics. The two-step procedure was followed, where, in first step with the aid of the relations governing the force field and the Lifson-Wershel potential function and structural mechanics relations, the coefficients for the BEAM elements were found, and a structural mechanics model for Germanene was proposed. Then, a germanene sheet with 60 × 70 Ȧ was modeled and Young’s modulus of Germanene was obtained by molecular dynamics and proposed molecular mechanics methods.
- Publication:
-
International Journal of Geometric Methods in Modern Physics
- Pub Date:
- 2020
- DOI:
- 10.1142/S0219887820500310
- Bibcode:
- 2020IJGMM..1750031M
- Keywords:
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- Germanene;
- molecular dynamics;
- structural molecular mechanics;
- mechanical properties