Debonding simulation of fibre-matrix interfaces of FRP composites with reactive force field

Lin, Kui; Yu, Tao

doi:10.1016/j.conbuildmat.2021.125304

Cited by 17 publications

(8 citation statements)

References 77 publications

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“…Plastic deformation contains shear bands and crazes [ 35 ]. Moreover, the plasticization of the matrix due to a higher loading level may lead to debonding the polymer and reinforcement fibres [ 36 ]. Such a failure results in transferring the load by the matrix and damage of strength and stiffness.…”

Section: Discussionmentioning

confidence: 99%

Influence of Thermal Shocks on Residual Static Strength, Impact Strength and Elasticity of Polymer-Composite Materials Used in Firefighting Helmets

et al. 2021

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The article presents results of experimental studies on mechanical properties of the polymer-composite material used in manufacturing firefighting helmets. Conducted studies included static and impact strength tests, as well as a shock absorption test of glass fiber-reinforced polyamide 66 (PA66) samples and firefighting helmets. Samples were subject to the impact of thermal shocks before or during being placed under a mechanical load. A significant influence of thermal shocks on mechanical properties of glass fiber-reinforced PA66 was shown. The decrease in strength and elastic properties after cyclic heat shocks ranged from a few to several dozen percent. The average bending strength and modulus during the 170 degree Celsius shock dropped to several dozen percent from the room temperature strength. Under these thermal conditions, the impact strength was lost, and the lateral deflection of the helmet shells increased by approximately 300%. Moreover, while forcing a thermal shock occurring during the heat load, it was noticed that the character of a composite damage changes from the elasto-brittle type into the elasto-plastic one. It was also proved that changes in mechanical and elastic properties of the material used in a helmet shell can affect the protective abilities of a helmet.

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Section: Discussionmentioning

confidence: 99%

Influence of Thermal Shocks on Residual Static Strength, Impact Strength and Elasticity of Polymer-Composite Materials Used in Firefighting Helmets

et al. 2021

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“…In this study, bisphenol A diglycidyl ether (DGEBA), an organic compound commonly used as a constituent of epoxy, was employed with m‐phenylenediamine (mPDA) as the curing agent to construct the epoxy resin, which is a common polymer in FRP 31 . The amorphous cell of epoxy included 200 DGEBA and 100 mPDA molecules with a = 79.9 Å, b = 79.7 Å, c = 20 Å, α = β = γ = 90°.…”

Section: Simulation Detailsmentioning

confidence: 99%

“…Tam et al 30 used the MD technique with the CVFF forcefield to characterize the creep behavior of the epoxy-carbon fiber interface, showing that the strain and stress evolution of the interface was correlated to interfacial structural changes. Lin and Yu 31 utilized MD with the CVFF and ReaxFF forcefield to simulate debonding between the epoxy fiber and silicon matrix in FRP composites and found that sizing treatment increased the surface toughness through tension tests. These studies have proved that MD is feasible and effective in exploring epoxy interfacial properties.…”

Section: Introductionmentioning

confidence: 99%

FRP–soil interfacial mechanical properties with molecular dynamics simulations: Insights into friction and creep behavior

Yin

Yuan-Yuan

2023

Num Anal Meth Geomechanics

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The fiber‐reinforced polymer (FRP) has attracted much attention in civil engineering due to its durability and cost‐effectiveness. The soil–FRP structure interface plays an essential role when the FRP is adopted in geotechnical engineering, but its fundamental interfacial behavior remains unclear. In the present study, the atomistic models of silica representing sand, water film representing the lubricated condition, and cross‐linked epoxy representing FRP are constructed to investigate the FRP–sand interfacial properties at the nano‐scale through molecular dynamics (MD) simulations. The epoxy model geometry and forcefield are first validated by comparing the thermodynamic and mechanical parameters with experimental and simulation measurements. The silica–epoxy interfacial tribological and rheological behavior is then explored by conducting friction and creep simulations under dry and lubricated conditions. The friction force has been found linearly dependent on the normal load and increases with the sliding velocity while decreasing against water content. The modified Amontons law for the adhering surface could describe the silica–epoxy interfacial friction well. The shear stress level influences the creep characteristics with primary, secondary, and tertiary (or rupture) creep modes. The results of this study at the nano‐scale can be further developed to enhance the current contact laws of sand–FRP structure in micromechanics‐based modeling approaches.

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“…These nano-carriers include dendrimers, micelles, polymer matrixes, liposomes, metals, metal oxides, and carbon nanomaterials (e.g., carbon nanotubes, fullerenes, and, graphene nanosheet (GNS)) [11][12][13][14] .Among the nano-carriers, GNS has shown great potential for utilization in targeted therapeutics. As a twodimensional (2D) carbon nanosheet, GNS is made of sp 2 -hybridized C atoms and is packed in a honeycomb lattice [15][16][17][18][19] . In fact, GNS comprises some layers with π-conjugated six-membered rings that composes an aromatic and planar macromolecule.…”

mentioning

confidence: 99%

“…Among the nano-carriers, GNS has shown great potential for utilization in targeted therapeutics. As a twodimensional (2D) carbon nanosheet, GNS is made of sp 2 -hybridized C atoms and is packed in a honeycomb lattice [15][16][17][18][19] . In fact, GNS comprises some layers with π-conjugated six-membered rings that composes an aromatic and planar macromolecule.…”

mentioning

confidence: 99%

Surface functionalization of graphene nanosheet with poly (l-histidine) and its application in drug delivery: covalent vs non-covalent approaches

rad

Farzad

Razavi

2022

Sci Rep

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Nowadays, nanomaterials are increasingly being used as drug carriers in the treatment of different types of cancers. As a result, these applications make them attractive to researchers dealing with diagnosis and biomarkers discovery of the disease. In this study, the adsorption behavior of gemcitabine (GMC) on graphene nanosheet (GNS), in the presence and absence of Poly (L-histidine) (PLH) polymer is discussed using molecular dynamics (MD) simulation. The MD results revealed an increase in the efficiency and targeting of the drug when the polymer is covalently attached to the graphene substrate. In addition, the metadynamics simulation to investigate the effects of PLH on the adsorption capacity of the GNS, and explore the adsorption/desorption process of GMC on pristine and PLH- grafted GNS is performed. The metadynamics calculations showed that the amount of free energy of the drug in acidic conditions is higher (− 281.26 kJ/mol) than the free energy in neutral conditions (− 346.24 kJ/mol). Consequently, the PLH polymer may not only help drug adsorption but can also help in drug desorption in lower pH environments. Based on these findings, it can be said that covalent polymer bonding not only can help in the formation of a targeted drug delivery system but also can increase the adsorption capacity of the substrate.

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Debonding simulation of fibre-matrix interfaces of FRP composites with reactive force field

Cited by 17 publications

References 77 publications

Influence of Thermal Shocks on Residual Static Strength, Impact Strength and Elasticity of Polymer-Composite Materials Used in Firefighting Helmets

Influence of Thermal Shocks on Residual Static Strength, Impact Strength and Elasticity of Polymer-Composite Materials Used in Firefighting Helmets

FRP–soil interfacial mechanical properties with molecular dynamics simulations: Insights into friction and creep behavior

Surface functionalization of graphene nanosheet with poly (l-histidine) and its application in drug delivery: covalent vs non-covalent approaches

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