[HTML][HTML] Nano-engineering of construction materials using molecular dynamics simulations: Prospects and challenges
In recent years, research articles involving molecular dynamics simulations of construction
materials have grown significantly in number. The growth reflects an emerging need to …
materials have grown significantly in number. The growth reflects an emerging need to …
Carbon fibre surface chemistry and its role in fibre-to-matrix adhesion
A key factor determining the performance of carbon fibre reinforced polymer (CFRP)
composites is their fibre-to-matrix interactions, the interface and interphase, as these allow …
composites is their fibre-to-matrix interactions, the interface and interphase, as these allow …
A stepwise docking and molecular dynamics approach for enzymatic biolubricant production using Lipase Eversa® Transform as a biocatalyst
FTT Cavalcante, AM da Fonseca… - Industrial Crops and …, 2022 - Elsevier
Biolubricants have gained a notable market share in the last decade due to the increased
interest in replacing petroleum-based lubricants in various applications. Biolubricants are …
interest in replacing petroleum-based lubricants in various applications. Biolubricants are …
[HTML][HTML] Degradation of epoxy/glass interface in hygrothermal environment: An atomistic investigation
The degradation at the glass fiber/matrix interface through molecular dynamics simulations
in hygrothermal environment is investigated. The glass fiber reinforced polymer composite …
in hygrothermal environment is investigated. The glass fiber reinforced polymer composite …
Topology-controlled thermomechanical properties of diamond nanothread enhanced polymeric materials
Among carbon-based nanoadditive for polymeric materials, diamond nanothread (DNT) has
attracted considerable interest due to its exceptional mechanical properties. However, the …
attracted considerable interest due to its exceptional mechanical properties. However, the …
Atomistic insights into the debonding of Epoxy–Concrete interface with water presence
In this study, molecular models are developed to investigate the water-induced bond
degradation of the epoxy–concrete interface. Concrete is simulated using the Csingle …
degradation of the epoxy–concrete interface. Concrete is simulated using the Csingle …
Understanding the effect of functionalization in CNT-epoxy nanocomposite from molecular level
The excellent physical, mechanical, thermal and electrical properties of carbon nanotubes
(CNTs) make them the promising reinforcements for polymer materials. The resulting …
(CNTs) make them the promising reinforcements for polymer materials. The resulting …
Enhancing interfacial bonding between epoxy and CSH using graphene oxide: An atomistic investigation
Graphene oxide (GO) is being considered for improving the bonding properties of the epoxy-
concrete interface, which is of great significance in enhancing the durability and …
concrete interface, which is of great significance in enhancing the durability and …
Theoretical investigation of epoxy detachment from CSH interface under aggressive environment
Reliable bonding between epoxy and concrete is necessary for FRP bonded concrete
structures to ensure their durability. However, FRP bonded concrete structures are inevitably …
structures to ensure their durability. However, FRP bonded concrete structures are inevitably …
Design rules for enhanced interfacial shear response in functionalized carbon fiber epoxy composites
Carbon-fiber reinforced composites are ideal light-weighting candidates to replace
traditional engineering materials. The mechanical performance of these composites results …
traditional engineering materials. The mechanical performance of these composites results …