Molecular dynamics simulations of orientation induced interfacial enhancement between single walled carbon nanotube and aromatic polymers chains

In this work, molecular dynamics simulations were utilized to probe the interfacial enhancement between aromatic polymers and single walled carbon nanotube (SWCNT) induced by molecular orientation. Two aromatic polymers, polyphenylene sulfide (PPS) and polystyrene (PS) were chosen for comparison study. It was found that orientation of polymer chain could bring about an obvious promotion in interfacial interaction for both systems. In PPS/SWCNT systems, the increased interfacial interaction energy was due to the easy formation of offset π–π stacking, while in PS/SWCNT systems the formation of edge-to-face π–π stacking contributed to the enhancement. Polymer/SWCNT composites were also constructed and a similar interfacial enhancement was observed as well. The mechanism of the orientation induced enhancement was a combination of forming more π–π stacking and better coating effect. This will help to deepen the understanding of interfacial interaction in aromatic polymers/carbon nanotubes composites and guide the fabrication of high performance materials.     

The role of interfacial interactions on the glass-transition and viscoelastic properties of silica/polystyrene nanocomposite

Filler surface properties and polymer-filler interactions have dominate influence on viscoelastic behavior of polymeric matrix composites. When the filler-filler spacing is on the order of the polymeric matrix molecular size, fillers may agglomerate through direct short-range interactions, also by overlapping of interfacial layers of neighboring fillers. In this work the effect of interfacial layer on the viscoelastic properties of silica/polystyrene composite was investigated.The Si/Ps nanocomposites were prepared by solution mixing method, and dynamic rheometry was employed to determine the viscoelastic behavior in the melt state. Experimental results show that, addition of silica nanoparticles to polystyrene matrix would increase the glass-transition temperature of polymer. This increasing will be accelerated by presence of nanoparticles with more filler-polymer adhesion energy, because of more interfacial layer volume fraction. It is helpful in evaluating the volume fraction and equivalent thickness of interfacial layer in polymer nanocomposites. Likewise it is shown that, the dynamic moduli of nanocomposite is enhanced associated with the increase in the glass-transition temperature. This study implies that the main source of increment in both dynamic modulus and glass-transition temperature of polymer nanocomposites is the presence of the immobilized interfacial layer and the secondary filler network.     

Discrete element modelling of unidirectional fibre-reinforced polymers under transverse tension

The mechanical behaviour of unidirectional fibre-reinforced polymer composites subjected to transverse tension was studied using a two dimensional discrete element method. The Representative Volume Element (RVE) of the composite was idealised as a polymer matrix reinforced with randomly distributed parallel fibres. The matrix and fibres were constructed using disc particles bonded together using parallel bonds, while the fibre/matrix interfaces were represented by a displacement-softening model. The prevailing damage mechanisms observed from the model were interfacial debonding and matrix plastic deformation. Numerical simulations have shown that the magnitude of stress is significantly higher at the interfaces, especially in the areas with high fibre densities. Interface fracture energy, stiffness and strength all played important roles in the overall mechanical performance of the composite. It was also observed that tension cracks normally began with interfacial debonding. The merge of the interfacial and matrix micro-cracks resulted in the final catastrophic fracture.     

Effect of surface functionalization on mechanical properties and decomposition kinetics of high performance polyetherimide/MWCNT nano composites

In this investigation, Polyetherimide (PEI) reinforced with multi-walled carbon nanotube (MWCNT) using novel melt blending technique. Surface of MWCNTs are modified by acid treatment as well as by plasma treatment. PEI nano composites with 2 wt% treated MWCNT shows about 15% improvement in mechanical properties when compared to unfilled PEI. The thermal decomposition kinetics of PEI/MWCNT nano composites has been critically analyzed by using Coats – Redfern model. The increase in activation energy for thermal degradation by 699 kJ/mol for 2 wt% MWCNT implies improvement in the thermal properties of PEI. Studies under Fourier Transform Infrared Spectroscopy (FTIR) and Transmission Electron Microscopy (TEM) depict significant interfacial adhesion with uniform dispersion of MWCNT in polymer matrix due to surface functionalization. 0.5 wt% chemically modified MWCNT shows typical alignment of MWCNT. There is a significant improvement in mechanical properties and thermal properties for surface functionalized MWCNT reinforced.     

Microscopic failure mechanisms of fiber-reinforced polymer composites under transverse tension and compression

The mechanical behavior of unidirectional fiber-reinforced polymer composites subjected to tension and compression perpendicular to the fibers is studied using computational micromechanics. The representative volume element of the composite microstructure with random fiber distribution is generated, and the two dominant damage mechanisms experimentally observed – matrix plastic deformation and interfacial debonding – are included in the simulation by the extended Drucker–Prager model and cohesive zone model respectively. Progressive failure procedure for both the matrix and interface is incorporated in the simulation, and ductile criterion is used to predict the damage initiation of the matrix taking into account its sensitivity to triaxial stress state. The simulation results clearly reveal the damage process of the composites and the interactions of different damage mechanisms. It can be concluded that the tension fracture initiates as interfacial debonding and evolves as a result of interactions between interfacial debonding and matrix plastic deformation, while the compression failure is dominated by matrix plastic damage. And then the effects of interfacial properties on the damage behavior of the composites are assessed. It is found that the interfacial stiffness and fracture energy have relatively smaller influence on the mechanical behavior of composites, while the influence of interfacial strength is significant.     

Excellent dielectric properties of PVDF-based composites filled with carbonized PAN/PEG copolymer fibers

Weak interfacial bonding between carbon materials and polymer matrix impedes the formation of homogeneous composites, challenging to the enhancement of dielectric properties of such systems. In this work, we designed novel carbonized polyacrylonitrile/polyethylene glycol copolymer fibers (CPCFs) and then used them as fillers to enhance the dielectric properties of poly(vinylidene fluoride) (PVDF)-based composites. These CPCFs are rich in nitrogen (8.55%) and oxygen (3.94%) atoms on the surface of them. The results of molecular dynamic (MD) simulations indicate that the existence of these atoms significantly increase the interaction energy between CPCFs and PVDF matrix from −45.13 kcal/mol to −62.22 kcal/mol, which promotes the intercalation of conductive CPCFs into insulated PVDF matrix to form ultrathin microcapacitors. As a result, the largest dielectric constant of CPCFs/PVDF composites can reach 1583 (1 kHz), which is about 150 times higher than that of pure PVDF.     

Expanded graphite nanoplatelets as coupling agents in glass fiber reinforced polypropylene composites

The interfacial adhesion between E-glass fibers and various types of nanomodified polypropylene (PP) matrices have been investigated on single-fiber model composites. In particular, an evaluation of the fiber–matrix interfacial shear strength was performed by the fragmentation tests on model composites prepared by using PP matrices containing various amounts (up to 7 wt%) of expanded graphite nanoplatelets (xGnP).The presence of xGnP in the polymer matrix resulted in a remarkable increase of the interfacial shear strength values (up to a factor of about 6 for a 7 wt% content of xGnP) if compared to neat PP. Moreover, wettability measurements in various liquids evidenced that the work of adhesion of the polymer matrix with respect to glass fiber, was improved by the presence of xGnP.     

Relationship between microstructure and fracture behavior of bioabsorbable HA/PLLA composites

Hydroxyapatite particles of four different shapes, that is, micro, nano, spherical and plate, were used to fabricate hydroxyapatite filled poly(l-lactic acid) (HA/PLLA) composites. Effects of HA particle shape on the fracture behavior of HA/PLLA were investigated by mode I fracture testing, fracture surface measurement and scanning electron microscopy. It was found that the micro-HA/PLLA has the highest critical energy release rate, G_IC, with the largest surface roughness, while G_IC of the nano-HA/PLLA was lowest corresponding to the smallest surface roughness. The micro-HA/PLLA composites exhibited interfacial debonding and local ductile deformation of the PLLA matrix, indicating higher fracture energy and therefore, the highest G_IC. On the other hand, the nano-HA/PLLA composites showed brittle fracture surface due to nano-scale interaction between PLLA fibrils and primary HA particles, corresponding to lower fracture energy and hence the lowest G_IC.     

Mechanical and interfacial properties of wood and bio-based thermoplastic composite

The aim of this investigation was to study a new family of wood polymer composites with thermoplastic elastomer matrix (pebax® copolymers) instead of commonly used WPC matrices. These copolymers are polyether-b-amide thermoplastic elastomers which present an important elongation at break and a melting point below 200 °C to prevent wood fibers degradation during processing. Moreover these polymers are synthesized from renewable resources and they present a hydrophilic character which allow them to interact with wood fibers. We have used two pebax® grade with different hardness and three types of wood fibers, so the influence of the matrix and wood fibers characteristics were evaluated. Composites were produced using a laboratory-size twin screw extruder to obtain composite pellets prior to injection moulding into tensile test samples. We have evaluated fibers/matrix interaction by differential scanning calorimetry (DSC), infrared spectroscopy (IRTF) and scanning electron microscopy (SEM). Then, the mechanical properties, through tensile test, were assessed. We also observed fibers dispersion into the matrix by tomography X. DSC, IRTF and SEM measurements confirmed the presence of strong interface interactions between polymer and wood. These interactions lead to good mechanical properties of the composites with a reinforcement effect of wood fibers due also to a good dispersion of fibers into the matrix without agglomerate.     

Investigation of structure,mechanical and tribological properties of short carbon fiber reinforced UHMWPE-matrix composites

Structural, mechanical and tribological properties of composite materials based on ultra-high molecular weight polyethylene reinforced with carbon fibers were investigated. The effect of surface modification of carbon fibers on the interaction at the fiber–matrix interface in UHMWPE based composites was studied. It was found that the thermal oxidation of carbon fibers by air oxygen at 500 °C can significantly enhance the interfacial interaction between the polymer matrix and carbon fibers. This allowed us to form composite materials with improved mechanical and tribological properties.     

Long-term moisture effects on the interfacial shear strength between surface treated carbon fiber and epoxy matrix

In recent years, carbon fiber reinforced polymer (CFRP) composites have found increasing applications in marine and offshore area, where the CFRP components are subjected to a persistent attack of moisture. The performance degradation of composites under those critical service conditions becomes a key issue. In this work, silane coating and multiwalled carbon nanotubes were applied on carbon fibers to enhance the fiber/matrix interfacial bonding strength. The long-term effects of moisture on the interfacial shear strength (IFSS) of the composites in underwater environments, such as de-ionized water and simulated seawater, have been studied using single fiber microbond method. The silane coating and carbon nanotube-modified silane coating are found to contribute 14.5% and 26.3% increase in IFSS of the CFRP in dry air, and well maintain this improvement during a 120-day immersion test in de-ionized water and simulated seawater.     

The effect of interfacial state on the thermal conductivity of functionalized Al2O3 filled glass fibers reinforced polymer composites

Rapidly increasing packaging density of electronic devices puts forward higher requirements for thermal conductivity of glass fibers reinforced polymer (GFRP) composites, which are commonly used as substrates in printed circuit board. Interface between fillers and polymer matrix has long been playing an important role in affecting thermal conductivity. In this paper, the effect of interfacial state on the thermal conductivity of functionalized Al₂O₃ filled GFRP composites was evaluated. The results indicated that amino groups-Al₂O₃ was demonstrated to be effective filler to fabricate thermally conductive GFPR composite (1.07 W/m K), compared with epoxy group and graphene oxide functionalized Al₂O₃. It was determined that the strong adhesion at the interface and homogeneous dispersion of filler particles were the key factors. Moreover, the effect of interfacial state on dielectric and thermomechanical properties of GFRP composites was also discussed. This research provides an efficient way to develop high-performance GFRP composites with high thermal conductivity for integrated circuit packaging applications.     

The effect of molecular chain polarity on electric field-induced aligned conductive carbon nanotube network formation in polymer melt

Two ethylene–vinyl acetate (EVA) copolymers containing 10 and 25 wt.% vinyl acetate (EVA10 and EVA25) were utilized to explore the effect of molecular polarity on the formation of conductive carbon nanotube (CNT) network in EVA melt under an electric field. Because of the different interfacial energy, it was supposed to be stronger molecular chain-CNT interaction in CNT/EVA25 than that in CNT/EVA10. The critical time for conductive CNT network formation decreased with annealing temperature, filler loading and EVA polarity. The activation energy of conductive CNT network formation (93.9 kJ/mol) in CNT/EVA10 is lower than that (104.7 kJ/mol) in CNT/EVA25. By a thermodynamic percolation model, the percolation threshold at the equilibrium state was about 0.19 vol.% for CNT/EVA10, while it rose to 0.27 vol.% for CNT/EVA25. Morphological observation showed a high degree of CNT alignment in CNT/EVA10 compared to CNT/EVA25 after application of an electric field. The results suggested the strong CNT–EVA chain interaction and higher viscosity of polymer matrix limited the CNT alignment and the conductive network tended to form easily in EVA melt with a low chain polarity.     

废印刷电路板非金属粉负载二氧化硅杂化填料的制备及其在不饱和聚酯中的应用

为增强废印刷电路板非金属粉(WPCBP)与聚合物基体之间的界面结合作用,采用溶胶-凝胶法在WPCBP表面原位负载了一层纳米二氧化硅粒子(SiO2),制备了一种新型的WPCBP-SiO2杂化填料.SEM、TGA和FTIR证明SiO2通过化学键成功负载到了杂化填料的表面.采用含双键的界面改性剂对杂化填料进行改性后,应用于不饱和聚酯树脂基体,探讨了未改性杂化填料及表面改性杂化填料对不饱和聚酯复合材料的力学性能、界面结合作用和热稳定性能的影响.结果表明,新型的杂化填料WPCBP-SiO2能够与不饱和聚酯基体形成强的界面结合作用,显著提高不饱和聚酯复合材料的力学性能和热稳定性能,且表面改性后复合材料的各项性能得到进一步提高.     

On the local elastic–plastic behaviour of the interface in titanium/silicon carbide composites

The purpose of this study is to conduct a high-resolution nonlinear finite element analysis of the elastic–plastic behaviour of titanium/silicon carbide composites subject to transverse loading. This class of metal matrix composites is designed for the next generation of supersonic jet engines and deserves careful assessment of its behaviour under thermo mechanical loads. Three aspects of the work are accordingly examined. The first is concerned with the development of a representative unit cell capable of accurately describing the local elastic–plastic behaviour of the interface in metal matrix composites under thermal and mechanical loads. The second is concerned with the determination of the influence of mismatch in the mechanical properties between the inhomogeneity and the matrix upon the induced stress fields and the plastic zone development and its growth. The third is concerned with unloading and the role played by the interface upon residual stresses. It is found that the maximum interfacial stress in the matrix appears in the case involving cooling from the relieving temperature with subsequent applied compressive loading. It is also found that the mismatch in mechanical properties between the matrix and the inhomogeneity introduces significant changes in the stress distribution in the matrix. Specifically, it is observed that the maximum radial and tangential stresses in the matrix take place at the interface. The plastic deformation of the matrix leads to a relaxation of these stresses and assists in developing a more uniform interfacial stress distribution. However, the matrix stresses and the resulting equivalent plastic strains still reach their maximum values at that interface. The results show similarities in the patterns of the interfacial stress distribution and plastic zone development for all ranges of fibre volume fractions and loading levels examined. However, they also show marked differences in both the magnitude and patterns of matrix stress distribution between the adjacent inhomogeneities as a result of interaction effects between the fibres.     

Evaluation of interfacial strength in CF/epoxies using FEM and in-situ experiments

A combined experimental and numerical study has been carried out in order to study the mechanism of initial failure in transversely loaded CF/epoxy composites. Two composites with a high and a low temperature-curing matrix were investigated. Three point bending experiments on macroscopic composite specimen with special laminate lay-ups were carried out in a scanning electron microscope (SEM). The in-situ experiments allow observing the onset of microscopic composite failure under transverse loading and measurement of the macroscopic applied load at onset of failure. The experimental results show that interfacial failure was the dominating failure mechanism for both materials. For the same carbon fiber with the same treatment the interfacial failure was adhesive (weak interface) or cohesive (strong interface), depending on the matrix system. The interfacial stresses at initiation of failure were determined successfully by a non-linear micro/macro FE-analysis and compared with experimental results obtained from micro composite test. The results show that the interfacial normal strength (INS) governs failure under transverse loads.     

Lignocellulosic fibre mediated rubber composites: An overview

The rising concern towards the reduction in the use of petroleum-based, non-renewable resources and the need for more versatile polymer-based composite materials have led to increasing interests on natural polymer composites filled with natural organic fillers, i.e. coming from renewable and biodegradable sources. This paper reviews wood flour and other lignocellulosic fibres filled rubber composites, including cellulosic rubber composites, cellulosic thermoplastic elastomers, nanocellulose based rubber nanocomposites, with the aims at providing the most state of the art information for directing further scientific research, possible commercialization and design of cellulosic rubber composites. It has been found that 1) the surface properties of natural cellulose, hence the compatibility and interface of the natural cellulose and matrix rubber/plastics, are crucial for the successful development of the composites, such, physical and chemical modification and additives have been widely attempted to improve the incompatibility and poor interfacial adhesion between the filler and matrix; 2) the curing characteristics, mechanical properties, thermal stability and morphologies of the composites are complex but closely related to not only the interfacial properties, but also the compositions (e.g. the concentration of cellulosic materials) and other processing parameters; 3) the nature of hydrophilic cellulosic and hydrophobic matrix rubber and/or plastics requires an accurate introduction of coupling agent, one end of its structure shall be compatible to hydrophilic and the other to hydrophobic. The reviews on the main paths and results of study on the advanced nanocellulose reinforced rubber nanocomposites and sandwiches indicate much potentials and needs for further in-depth studies.     

Surface modification and adhesion mechanisms in woodfiber-polypropylene composites

The interfacial adhesion between wood fiber and thermoplastic matrix polymer plays an important role in determining the performance of wood-polymer composites. The objectives of this research were to elucidate the interaction between the anhydride groups of maleated polypropylene (MAPP) and hydroxyl groups of wood fiber, and to clarify the mechanisms responsible for the interfacial adhesion between wood fiber and polypropylene matrix. The modification techniques used were bulk treatment in a thermokinetic reactive processor and solution coating in xylene. FT-IR was used to identify the nature of bonds between wood fiber and MAPP. IGC and wood veneer pull-out test was used to estimate the interfacial adhesion. Mechanical properties of injection molded woodfiber-polypropylene composites were also determined and compared with the results of esterification reaction and interfacial adhesion tests. Confocal Microscopy was employed to observe the morphology at the wood fiber-polypropylene interface, and the dispersion and orientation of wood fiber in the polypropylene matrix, respectively. The effectiveness of MAPP to improve the mechanical properties (particularly the tensile strength) of the composites was attributed to the compatibilization effect which is accomplished by reducing the total wood fiber surface free energy, improving the polymer matrix impregnation, improving fiber dispersion, improving fiber orientation, and enhancing the interfacial adhesion through mechanical interlocking. There was no conclusive evidence of the effects of ester links on the mechanical properties of the composites.     

毛白杨木粉/聚丙烯复合材料界面相容性的介电弛豫解析

为解析木塑复合材料的界面相容性机制,通过介电弛豫过程分析研究不同硅烷偶联剂添加量的毛白杨木粉/聚丙烯复合材料的温度谱及频率谱,并计算介电弛豫过程中的表观活化能和热力学量。结果表明:在添加硅烷偶联剂的毛白杨木粉/聚丙烯复合材料中能观察到基于木材细胞壁无定形区中伯醇羟基的回转取向运动的弛豫过程;弛豫强度随硅烷偶联剂添加量增大先减少而后缓慢增大;随偶联剂添加量的增大,弛豫时间分布峰呈先变宽、变低,然后再变尖、变高趋势;表观活化能、活化焓、活化自由能和活化熵随硅烷偶联剂添加量增加先增大后减小。表观活化能在硅烷偶联剂添加量(质量比)为2.0%时达到最大值(28.12kJ/mol),与未添加偶联剂的毛白杨木粉/聚丙烯复合材料的(13.86kJ/mol)相比增加2倍以上,活化焓在硅烷偶联剂添加量从0%时的12.09kJ/mol增大到2.0%时的26.35kJ/mol,增大了117.9%,说明弛豫过程中伯醇羟基回转取向运动需要克服的能垒增加,毛白杨木粉与聚丙烯塑料的相容性更好,结合更紧密,界面强度更强,性能更加稳定。