STUDYING THERMAL PROPERTIES OF PHOSPHORENE ON A SIO2 SUBSTRATE USING DEEP LEARNING METHODS
This paper studies the stability and changes in thermal properties of multilayer black phosphorene near a silicon dioxide substrate using molecular dynamics methods. We use deep learning approaches to create a model of the particle interaction force field. The results show that at the interface of materials, substances lose their structure and partially diffuse. However, the further the subsequent phosphorene layers are from the interface, the more its crystalline structure is preserved. The obtained values of the sound velocity in phosphorene in the «armchair» and «zigzag» directions are 3715 m/s and 8415 m/s, respectively.
Authors
- D. V. Zav’yalov (ORCID: https://orcid.org/0000-0002-9173-6878)
- P. V. Badikova (ORCID: https://orcid.org/0000-0003-0542-1149)
- V. I. Konchenkov (ORCID: https://orcid.org/0000-0002-2525-0191)
- D.V. Shein (ORCID: https://orcid.org/0009-0006-5211-6226)
Publication Details
- Published
- 2024-10-21
- DOI
- https://doi.org/10.61527/appfe-2024.115-117
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.00