Molecular dynamics study of the interfacial strength between carbon fiber and phenolic resin

Niuchi, Takashi; Koyanagi, Jun; Inoue, Ryo; Kogo, Yasuo

doi:10.1080/09243046.2017.1286543

Cited by 32 publications

(17 citation statements)

References 35 publications

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“…Interfacial fracture energy is defined as the difference in energy of fiber–PP interface between the adhesive states and detachment state [20], as follows:Efracture=Etotaladhesive−EtotaldetachmentAcontact where Etotaladhesive and Etotaldetachment denote the total energy of composites system at adhesive state and detachment state, respectively. The total energy of adhesive state can be obtained through Equation (4).…”

Section: Simulation Model and Methodologymentioning

confidence: 99%

“…In recent years, molecular dynamics (MD) simulation has been increasingly employed to investigate the fiber–matrix interface property of composites from a viewpoint of atomistic level. Niuchi et al [20] investigated the tensile stress and fracture energy between phenolic resin and carbon fiber with different surface properties through the MD method. Koyanagi and co-workers [21] evaluated the mechanical properties of three types of interface, i.e., carbon/vinyl ester resin, carbon fiber/epoxy resin, and carbon fiber/polyimide resin via a microbonding test and normal stretching MD simulations.…”

Section: Introductionmentioning

confidence: 99%

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The Effect of Temperature and Strain Rate on the Interfacial Behavior of Glass Fiber Reinforced Polypropylene Composites: A Molecular Dynamics Study

et al. 2019

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To make better use of fiber reinforced polymer composites in automotive applications, a clearer knowledge of its interfacial properties under dynamic and thermal loadings is necessary. In the present study, the interfacial behavior of glass fiber reinforced polypropylene (PP) composites under different loading temperatures and strain rates were investigated via molecular dynamics simulation. The simulation results reveal that PP molecules move easily to fit tensile deformation at higher temperatures, resulting in a lower interfacial strength of glass fiber–PP interface. The interfacial strength is enhanced with increasing strain rate because the atoms do not have enough time to relax at higher strain rates. In addition, the non-bonded interaction energy plays a crucial role during the tensile deformation of composites. The damage evolution of glass fiber–PP interface follows Weibull’s distribution. At elevated temperatures, tensile loading is more likely to cause cohesive failure because the mechanical property of PP is lower than that of the glass fiber–PP interface. However, at higher strain rates, the primary failure mode is interfacial failure because the strain rate dependency of PP is more pronounced than that of the glass fiber–PP interface. The relationship between the failure modes and loading conditions obtained by molecular dynamics simulation is consistent with the author’s previous experimental studies.

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Section: Simulation Model and Methodologymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

The Effect of Temperature and Strain Rate on the Interfacial Behavior of Glass Fiber Reinforced Polypropylene Composites: A Molecular Dynamics Study

et al. 2019

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“…We know of no reports of simulation of epoxy network formation by amine addition followed by etherification and dehydrative degradation. There have been reports of atomistic simulations of crosslinking which include specific bond formation to create secondary and tertiary amines [17][18][19][20][21][22][23][24][25][26][27][28][29][30][31], bond formation among other specific molecular group pairs [32][33][34][35][36][37][38][39][40][41], link formation among coarse-grain entities [42], special bond reactions [43], and simulated multiple selected reactions based on known kinetic rates [44,45].…”

Section: Introductionmentioning

confidence: 99%

On the Nature of Epoxy Resin Post-Curing

2020

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Post-curing is intended to improve strength, elevate glass transition, and reduce residual stress and outgassing in thermosets. Also, experiments indicate post-curing temperatures lead to ether crosslinks and backbone dehydration. These results informed molecular dynamics methods to represent them and compare the resulting thermomechanical effects. Diglycidyl ether of bisphenol A (DGEBA)-diamino diphenyl sulfone (DDS) systems were examined. Independent variables were resin length, stoichiometry, and reaction type (i.e., amine addition, etherification, and dehydration). Etherification affected excess epoxide systems most. These were strengthened and became strain hardening. Systems which were both etherified and dehydrated were most consistent with results of post-curing experiments. Dehydration stiffened and strengthened systems with the longer resin molecules due to their intermediate hydroxyl groups for crosslinking. Changes in the concavity of functions fit to the specific volume versus temperature were used to detect thermal transitions. Etherification generally increased transition temperatures. Dehydration resulted in more transitions.

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“…Molecular dynamics (MD) simulation is a method to obtain the interfacial behavior and properties of materials at the atomic or molecular scale level, which can provide detailed insights into molecular diffusion and interactions across the interface caused by chemical bonding. It has been used to determine the properties of metal/metal [ 9 , 10 ], polymer/metal [ 11 , 12 , 13 , 14 , 15 , 16 , 17 ], polymer/ceramics [ 18 , 19 ], polymer/fiber [ 20 , 21 , 22 , 23 , 24 ], polymer/polymer [ 25 , 26 , 27 , 28 ] and even polymer/nanoparticle [ 29 ] interfaces. In particular, Wang et al [ 25 ] investigated the interfacial energy of hybrid composites through MD methods.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation on the Interfacial Behavior of Over-Molded Hybrid Fiber Reinforced Thermoplastic Composites

et al. 2020

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Hybrid fiber reinforced thermoplastic composites are receiving important attention in lightweight applications. The fabrication process of hybrid thermoplastic composites is that discontinuous fiber reinforced thermoplastics are injected onto the continuous fiber reinforced thermoplastics by over-molding techniques. The key issue during this process is to get a reliable interfacial bonding strength. To understand the bonding mechanism at the heterogeneous interface of hybrid thermoplastic composites which is difficult to obtain through experimental investigations, a series of molecular dynamic (MD) simulations were conducted in this paper. The influence of processing parameters on the interfacial characteristics, i.e., the distribution of interfacial high-density enrichment areas, radius of gyration, diffusion coefficient and interfacial energy, were investigated during the forming process of a heterogeneous interface. Simulation results reveal that some of molecule chains get across the interface and tangle with the molecules from the other layer, resulting in the penetration phenomenon near the interface zone. In addition, the melting temperature and injection pressure exhibit positive effects on the interfacial properties of hybrid composites. To further investigate the interfacial bonding strength and fracture mechanism of the heterogeneous interface, the uniaxial tensile and sliding simulations were performed. Results show that the non-bonded interaction energy plays a crucial role during the fracture process of heterogeneous interface. Meanwhile, the failure mode of the heterogeneous interface was demonstrated to evolve with the processing parameters.

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Molecular dynamics study of the interfacial strength between carbon fiber and phenolic resin

Cited by 32 publications

References 35 publications

The Effect of Temperature and Strain Rate on the Interfacial Behavior of Glass Fiber Reinforced Polypropylene Composites: A Molecular Dynamics Study

The Effect of Temperature and Strain Rate on the Interfacial Behavior of Glass Fiber Reinforced Polypropylene Composites: A Molecular Dynamics Study

On the Nature of Epoxy Resin Post-Curing

Molecular Dynamics Simulation on the Interfacial Behavior of Over-Molded Hybrid Fiber Reinforced Thermoplastic Composites

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