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Properties of Selenium under Tensile Stretch: A Molecular Dynamics Simulation
Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
- 1 Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
- 2 Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
- 3 Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
- 4 Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
- 5 Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
- 6 Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
- 7 Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
- 8 Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
- 9 Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
- 10 Department of Applied Science, Bonn-Rhine-Sieg University of Applied Sciences, Rheinbach, Germany
Journal of Materials Science and Chemical Engineering·Volume 13 (2025)·Pages 25–43·Published 19 March 2025·DOI10.4236/msce.2025.133003
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Abstract
Selenium is the third element of the group of chalcogens and is especially used in electrotechnical applications. Since many manufacturing processes use thin films of the material, knowledge of the mechanical properties is important for the detailed process layout. During the studies, the mechanical properties of trigonal selenium were determined. Therefore simulations of a uniaxial tensile test with a constant strain rate of 4.2⋅10 – 6 /fs using molecular dynamic methods were performed. Finally a great dependency of the mechanical properties on temperature, direction and strain was observed. In particular, anisotropy in fracture behavior can be demonstrated. This can be explained by the anisotropy of trigonal selenium. In addition, a density distribution was calculated, showing that the mechanical properties are influenced by diffusion processes occurring at increased temperatures. The changes in dynamic processes point to a ductile-brittle transition.
KeywordsSeleniumTensile TestMolecular Dynamics
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