Journal article
Molecular dynamic study of the mechanical properties of two-dimensional titanium carbides Tin+1Cn (MXenes)
Nanotechnology, v 26(26)
11 Jun 2015
PMID: 26063115
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
Two-dimensional materials beyond graphene are attracting much attention. Recently discovered 2D carbides and nitrides (MXenes) have shown very attractive electrical and electrochemical properties, but their mechanical properties have not been characterized yet. There are neither experimental measurements reported in the literature nor predictions of strength or fracture modes for single-layer MXenes. The mechanical properties of two-dimensional titanium carbides were investigated in this study using classical molecular dynamics. Young's modulus was calculated from the linear part of strain-stress curves obtained under tensile deformation of the samples. Strain-rate effects were observed for all Tin+1Cn samples. From the radial distribution function, it is found that the structure of the simulated samples is preserved during the deformation process. Calculated values of the elastic constants are in good agreement with published DFT data.
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Details
- Title
- Molecular dynamic study of the mechanical properties of two-dimensional titanium carbides Tin+1Cn (MXenes)
- Creators
- Vadym N Borysiuk - Sumy State University , 2 Rimsky-Korsakov Street, 40007 Sumy, UkraineVadym N Mochalin - Drexel University Department of Materials Science and Engineering and A J Drexel Nanomaterials Institute, Philadelphia, Pennsylvania 19104, USAYury Gogotsi - Drexel University Department of Materials Science and Engineering and A J Drexel Nanomaterials Institute, Philadelphia, Pennsylvania 19104, USA
- Publication Details
- Nanotechnology, v 26(26)
- Publisher
- IOP Publishing
- Number of pages
- 10
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering
- Web of Science ID
- WOS:000356448700015
- Scopus ID
- 2-s2.0-84931272353
- Other Identifier
- 991014877836804721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology
- Physics, Applied