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Prediction and simulation of mechanical properties of borophene-reinforced epoxy nanocomposites using molecular dynamics and FEA

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Заглавие Prediction and simulation of mechanical properties of borophene-reinforced epoxy nanocomposites using molecular dynamics and FEA
 
Автор Banerjee, N.
Sen, A.
Ghosh, P. S.
Biswas, A. R.
Sharma, S.
Kumar, A.
Singh, R.
Li, C.
Kaur, J.
Eldin, S. M.
 
Тематика 2D MATERIALS
BOROPHENE
EPOXY RESIN
FEA
MOLECULAR MODELLING
DENSITY (SPECIFIC GRAVITY)
ELASTIC MODULI
EPOXY COMPOSITES
FINITE ELEMENT METHOD
FORECASTING
MOLECULAR DYNAMICS
NANOCOMPOSITES
REINFORCEMENT
THERMAL EXPANSION
2D MATERIAL
BOROPHENE
DENSITY DISTRIBUTIONS
EPOXY COMPOSITE
EPOXY MATRICES
EPOXY NANOCOMPOSITES
EPOXY POLYMERS
MOLECULAR DYNAMIC MODELS
PREDICTION AND SIMULATIONS
REINFORCED EPOXY
EPOXY RESINS
 
Описание The purpose of this work is to predict the mechanical properties of single- to few-layered borophene (η-LB)/epoxy composites using molecular dynamics modelling. An epoxy matrix was used to hold borophene in layers, and a borophene sheet was homogeneously incorporated into the epoxy matrix to generate borophene/epoxy nanocomposites. In this work, the mechanical properties of borophene/epoxy nanocomposites have been analysed in further detail. In addition to the mechanical properties of the nanocomposites, the impacts of borophene on the density distribution of epoxy polymers in the nanocomposites led to the observation that the local density is relatively high near the borophene-β12 interface and gradually declines to the bulk value as one advances away from the interface. The mechanical properties of the borophene-layered nanocomposites were superior to those of their substitutes, with the former having a higher Young's modulus and a lower thermal expansion coefficient. This is due to the fact that borophene layer loading may result in a significant quantity of high-density polymer being present in the nanocomposites, which enhances the overall properties of the nanocomposites. In addition, the interaction between the three to four layers of loaded borophene layer provides the greatest reinforcement among the two nanocomposites systems. Finite element analysis analyses on the preferred results of the β12 LB were in excellent agreement with those of the experimental simulation data, demonstrating that this computational technique may be used to reliably predict the characteristics of borophene/epoxy composites in the future. © 2023 the author(s), published by De Gruyter.
 
Дата 2024-04-05T16:31:28Z
2024-04-05T16:31:28Z
2023
 
Тип Article
Journal article (info:eu-repo/semantics/article)
|info:eu-repo/semantics/publishedVersion
 
Идентификатор Banerjee, N, Sen, A, Ghosh, PS, Biswas, AR, Sharma, S, Kumar, A, Singh, R, Li, C, Kaur, J & Eldin, S 2023, 'Prediction and simulation of mechanical properties of borophene-reinforced epoxy nanocomposites using molecular dynamics and FEA', Reviews on Advanced Materials Science, Том. 62, № 1, 20220322. https://doi.org/10.1515/rams-2022-0322
Banerjee, N., Sen, A., Ghosh, P. S., Biswas, A. R., Sharma, S., Kumar, A., Singh, R., Li, C., Kaur, J., & Eldin, S. (2023). Prediction and simulation of mechanical properties of borophene-reinforced epoxy nanocomposites using molecular dynamics and FEA. Reviews on Advanced Materials Science, 62(1), [20220322]. https://doi.org/10.1515/rams-2022-0322
1606-5131
Final
All Open Access, Gold
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85168308527&doi=10.1515%2frams-2022-0322&partnerID=40&md5=4e1c202f99898018399a616a27438b85
https://www.degruyter.com/document/doi/10.1515/rams-2022-0322/pdf
http://elar.urfu.ru/handle/10995/130722
10.1515/rams-2022-0322
85168308527
 
Язык en
 
Права Open access (info:eu-repo/semantics/openAccess)
cc-by
https://creativecommons.org/licenses/by/4.0/
 
Формат application/pdf
 
Издатель Walter de Gruyter GmbH
 
Источник REVIEWS ON ADVANCED MATERIALS SCIENCE
Reviews on Advanced Materials Science