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Дата издания
10.06.2025Область исследования
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This study integrates classical all-atom molecular dynamics (MD) simulations and density functional theory (DFT) calculations to explore bisphosphate interactions in carbon fiber reinforced polymers (CFRP) composed of graphene oxide and epoxy resin for wind turbine applications. This research addresses the growing need for durable and reliable materials in renewable energy technologies. MD simulations reveal favorable interaction energies between bisphosphate and the graphene oxide/epoxy resin composite, suggesting improved molecular compatibility and structural stability. Radial distribution function (RDF) analysis and MD snapshots provide a detailed view of bisphosphate's spatial arrangements and interactions within the composite matrix. Complementary DFT calculations highlight optimized energy configurations and electronic structures, emphasizing bisphosphate's electron-donating and accepting capabilities. These findings underscore bisphosphate's potential to enhance the performance and resilience of graphene oxide and epoxy resin composites under demanding environmental conditions. By offering atomistic insights into material behavior, this study supports the development of advanced composite materials for wind turbine technologies, contributing to the sustainability and efficiency of renewable energy infrastructure. Further experimental validation is recommended to translate these computational findings into practical applications. © The Author(s) 2025.DOI
10.30919/mm1567Тип публикаций
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