The Effect of Temperature and Strain Rate on the Interfacial Behavior of Glass Fiber Reinforced Polypropylene Composites: A Molecular Dynamics Study
Abstract
:1. Introduction
2. Simulation Model and Methodology
2.1. Molecular Model and Force Field
2.1.1. Model Constructing
2.1.2. Force Field
2.2. Dynamics Simulations
2.2.1. Equilibration Stage
2.2.2. Uniaxial Tensile Deformation
2.3. The mobility of Polymer Molecular Chains
2.4. Interfacial Bonding Energy
2.5. Interfacial Fracture Energy
2.6. Damage Evolution at the Microscopic Scale
3. Results and Discussion
3.1. Interfacial Mechanical Response
3.1.1. Temperature Effect
3.1.2. Strain Rate Effect
3.2. Interfacial Characteristics
3.3. Damage Mechanisms
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
- Berardi, V.P.; Perrella, M.; Feo, L.; Cricrì, G. Creep behavior of GFRP laminates and their phases: Experimental investigation and analytical modeling. Compos. Part B Eng. 2017, 122, 136–144. [Google Scholar] [CrossRef]
- Thomason, J.L. The influence of fibre length and concentration on the properties of glass fibre reinforced polypropylene: 7. Interface strength and fibre strain in injection moulded long fibre PP at high fibre content. Compos. Part A Appl. Sci. Manuf. 2007, 38, 210–216. [Google Scholar] [CrossRef] [Green Version]
- Van de Velde, K.; Kiekens, P. Thermoplastic polymers: Overview of several properties and their consequences in flax fibre reinforced composites. Polym. Test. 2001, 20, 885–893. [Google Scholar] [CrossRef]
- Hufenbach, W.; Gude, M.; Böhm, R.; Zscheyge, M. The effect of temperature on mechanical properties and failure behaviour of hybrid yarn textile-reinforced thermoplastics. Mater. Des. 2011, 32, 4278–4288. [Google Scholar] [CrossRef]
- Brown, K.A.; Brooks, R.; Warrior, N.A. The static and high strain rate behaviour of a commingled E-glass/polypropylene woven fabric composite. Compos. Sci. Technol. 2010, 70, 272–283. [Google Scholar] [CrossRef]
- Rafiee, M.; Nitzsche, F.; Laliberte, J.; Thibault, J.; Labrosse, M.R. Simultaneous reinforcement of matrix and fibers for enhancement of mechanical properties of graphene-modified laminated composites. Polym. Compos. 2018, 40, E1732–E1745. [Google Scholar] [CrossRef]
- Rafiee, M.; Nitzsche, F.; Laliberte, J.; Hind, S.; Robitaille, F.; Labrosse, M.R. Thermal properties of doubly reinforced fiberglass/epoxy composites with graphene nanoplatelets, graphene oxide and reduced-graphene oxide. Compos. Part B Eng. 2019, 164, 1–9. [Google Scholar] [CrossRef]
- Houshyar, S.; Shanks, R.A. Morphology, Thermal and Mechanical Properties of Poly(propylene) Fibre-Matrix Composites. Macromol. Mater. Eng. 2003, 288, 599–606. [Google Scholar] [CrossRef]
- Zhang, W.; Deng, X.; Sui, G.; Yang, X. Improving interfacial and mechanical properties of carbon nanotube-sized carbon fiber/epoxy composites. Carbon 2019, 145, 629–639. [Google Scholar] [CrossRef]
- Flore, D.; Stampfer, B.; Wegener, K. Experimental and numerical failure analysis of notched quasi-unidirectional laminates at room temperature and elevated temperature. Compos. Struct. 2017, 160, 128–141. [Google Scholar] [CrossRef]
- Puck, A.; Schurmann, H.J.C.S. Failure analysis of FRP laminates by means of physically based phenomenological models. Compos. Sci. Technol. 1998, 58, 1633–1662. [Google Scholar] [CrossRef]
- Zhai, Z.; Jiang, B.; Drummer, D. Strain rate-dependent mechanical behavior of quasi-unidirectional E-glass fabric reinforced polypropylene composites under off-axis tensile loading. Polym. Test. 2018, 69, 276–285. [Google Scholar] [CrossRef]
- Zhai, Z.; Jiang, B.; Drummer, D. Temperature-dependent response of quasi-unidirectional E-glass fabric reinforced polypropylene composites under off-axis tensile loading. Compos. Part B Eng. 2018, 148, 180–187. [Google Scholar] [CrossRef]
- Shokrieh, M.M.; Omidi, M.J. Tension behavior of unidirectional glass/epoxy composites under different strain rates. Compos. Struct. 2009, 88, 595–601. [Google Scholar] [CrossRef]
- Ou, Y.; Zhu, D.; Zhang, H.; Yao, Y.; Mobasher, B.; Huang, L. Mechanical properties and failure characteristics of CFRP under intermediate strain rates and varying temperatures. Compos. Part B Eng. 2016, 95, 123–136. [Google Scholar] [CrossRef]
- Thomason, J.L.; Yang, L. Temperature dependence of the interfacial shear strength in glass–fibre polypropylene composites. Compos. Sci. Technol. 2011, 71, 1600–1605. [Google Scholar] [CrossRef]
- Ohsawa, T.; Nakayama, A.; Miwa, M.; Hasegawa, A. Temperature dependence of critical fiber length for glass fiber-reinforced thermosetting resins. J. Appl. Polym. Sci. 1978, 22, 3203–3212. [Google Scholar] [CrossRef]
- Yang, L.; Thomason, J.L. Interface strength in glass fibre–polypropylene measured using the fibre pull-out and microbond methods. Compos. Part A Appl. Sci. Manuf. 2010, 41, 1077–1083. [Google Scholar] [CrossRef]
- Pegoretti, A.; Fambri, L.; Migliaresi, C. Interfacial stress transfer in nylon-6/E-glass microcomposites: Effect of temperature and strain rate. Polym. Compos. 2000, 21, 466–475. [Google Scholar] [CrossRef]
- Niuchi, T.; Koyanagi, J.; Inoue, R.; Kogo, Y. Molecular dynamics study of the interfacial strength between carbon fiber and phenolic resin. Adv. Compos. Mater. 2017, 26, 569–581. [Google Scholar] [CrossRef]
- Koyanagi, J.; Itano, N.; Yamamoto, M.; Mori, K.; Ishida, Y.; Bazhirov, T. Evaluation of the mechanical properties of carbon fiber/polymer resin interfaces by molecular simulation. Adv. Compos. Mater. 2019. [Google Scholar] [CrossRef]
- Tam, L.-H.; Zhou, A.; Wu, C. Nanomechanical behavior of carbon fiber/epoxy interface in hygrothermal conditioning: A molecular dynamics study. Mater. Today Commun. 2019, 19, 495–505. [Google Scholar] [CrossRef]
- Tam, L.-H.; Lau, D.; Wu, C. Understanding interaction and dynamics of water molecules in the epoxy via molecular dynamics simulation. Mol. Simul. 2019, 45, 120–128. [Google Scholar] [CrossRef]
- Shubhra, Q.T.H.; Alam, A.; Quaiyyum, M.A. Mechanical properties of polypropylene composites: A review. J. Compos. Mater. 2011, 26, 362–391. [Google Scholar] [CrossRef]
- Stoffels, M.T.; Staiger, M.P.; Bishop, C.M. Reduced interfacial adhesion in glass fibre-epoxy composites due to water absorption via molecular dynamics simulations. Compos. Part A Appl. Sci. Manuf. 2019, 118, 99–105. [Google Scholar] [CrossRef]
- Garofalini, S.H. A molecular dynamics simulation of the vitreous silica surface. J. Chem. Phys. 1983, 78, 2069–2072. [Google Scholar] [CrossRef]
- Zhai, Z.; Gröschel, C.; Drummer, D. Tensile behavior of quasi-unidirectional glass fiber/polypropylene composites at room and elevated temperatures. Polym. Test. 2016, 54, 126–133. [Google Scholar] [CrossRef]
- Zhou, M.; Xiong, X.; Drummer, D.; Jiang, B. Interfacial interaction and joining property of direct injection-molded polymer-metal hybrid structures: A molecular dynamics simulation study. Appl. Surf. Sci. 2019, 478, 680–689. [Google Scholar] [CrossRef]
- Iwasaki, T.; Miura, H. Molecular dynamics analysis of adhesion strength of interfaces between thin films. J. Mater. Res. 2001, 16, 1789–1794. [Google Scholar] [CrossRef]
- LAMMPS Molecular Dynamics Simulation. Available online: http://lammps.sandia.gov/ (accessed on 16 March 2018).
- Ladeveze, P.; LeDantec, E. Damage modelling of the elementary ply for laminated composites. Compos. Sci. Technol. 1992, 43, 257–267. [Google Scholar] [CrossRef]
- Kim, K.-Y.; Ye, L. Influence of Matrix and Interface on Transverse Mechanical Properties of CF–PEI Thermoplastic Composites at Elevated Temperatures. J. Reinf. Plast. Compos. 2005, 24, 429–445. [Google Scholar] [CrossRef]
- Pegoretti, A.; Della Volpe, C.; Detassis, M.; Migliaresi, C.; Wagner, H.D. Thermomechanical behaviour of interfacial region in carbon fibre/epoxy composites. Compos. Part A Appl. Sci. Manuf. 1996, 27, 1067–1074. [Google Scholar] [CrossRef]
- Sun, Q.; Meng, Z.; Zhou, G.; Lin, S.-P.; Kang, H.; Keten, S.; Guo, H.; Su, X. Multi-scale computational analysis of unidirectional carbon fiber reinforced polymer composites under various loading conditions. Compos. Struct. 2018, 196, 30–43. [Google Scholar] [CrossRef]
- Li, J.; Zhao, J.; Ren, P.; Dong, H.; Meng, B.; Hu, S. Effects of temperature, strain rate and molecule length on the deformation of graphene/polyethylene composites: A molecular dynamics simulation. Chem. Phys. Lett. 2019, 726, 39–45. [Google Scholar] [CrossRef]
- Vieille, B.; Aucher, J.; Taleb, L. Comparative study on the behavior of woven-ply reinforced thermoplastic or thermosetting laminates under severe environmental conditions. Mater. Des. 2012, 35, 707–719. [Google Scholar] [CrossRef]
- Koyanagi, J.; Sato, Y.; Sasayama, T.; Okabe, T.; Yoneyama, S. Numerical simulation of strain-rate dependent transition of transverse tensile failure mode in fiber-reinforced composites. Compos. Part A Appl. Sci. Manuf. 2014, 56, 136–142. [Google Scholar] [CrossRef]
- Sato, M.; Shirai, S.; Koyanagi, J.; Ishida, Y.; Kogo, Y. Numerical simulation for strain rate and temperature dependence of transverse tensile failure of unidirectional carbon fiber-reinforced plastics. J. Compos. Mater. 2019. [Google Scholar] [CrossRef]
Polymeric Material | Number of Chains | Degree of Polymerization | Total Amount of Atoms | Initial Density (g/cm3) | Box Size (nm) |
---|---|---|---|---|---|
PP | 50 | 38 | 17176 | 0.9 | 5 × 5 × 5.9 |
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Zhang, M.; Jiang, B.; Chen, C.; Drummer, D.; Zhai, Z. The Effect of Temperature and Strain Rate on the Interfacial Behavior of Glass Fiber Reinforced Polypropylene Composites: A Molecular Dynamics Study. Polymers 2019, 11, 1766. https://doi.org/10.3390/polym11111766
Zhang M, Jiang B, Chen C, Drummer D, Zhai Z. The Effect of Temperature and Strain Rate on the Interfacial Behavior of Glass Fiber Reinforced Polypropylene Composites: A Molecular Dynamics Study. Polymers. 2019; 11(11):1766. https://doi.org/10.3390/polym11111766
Chicago/Turabian StyleZhang, Muhan, Bingyan Jiang, Chao Chen, Dietmar Drummer, and Zhanyu Zhai. 2019. "The Effect of Temperature and Strain Rate on the Interfacial Behavior of Glass Fiber Reinforced Polypropylene Composites: A Molecular Dynamics Study" Polymers 11, no. 11: 1766. https://doi.org/10.3390/polym11111766