Carbon nanoparticles/polyvinyl alcohol composites with enhanced optical,thermal, mechanical,and flame-retardant properties

In this work, polyvinyl alcohol (PVA) is chemically bonded to carbon nanoparticles (CNPs) by a very simple and versatile solution casting method. Five different kinds of CNPs/PVA composite films were prepared; 0.5, 1.0, 1.5, 2.0, and 3.0 wt% CNPs dispersed in PVA. The as-prepared samples were characterized using various characterization techniques. The resulting nanocomposites proved to possess homogeneity and better mechanical, thermal, optical, and flame-retardant properties than pure PVA. Most of the CNPs with average particle size ≤100 nm were homogeneously dispersed in the PVA matrix showing fluorescence in the violet color zone. The crystallinity of the nanocomposites show a decline in the diffraction intensity as compared to pure PVA which results from the dwelling of CNPs inside the gaps of stacked-layer chains of PVA. The mechanical properties of nanocomposites indicated enhancement in toughness, elastic modulus and tensile strength with an increase in CNPs contents. The assessment for flame-retardant properties was carried out through cone calorimetry. The results show a decrease in both total heat release rate (THRR) and peak heat release rate (pHRR) of the resulting nanocomposites as compared to pure PVA. The superior properties of the CNPs/PVA composites stemmed from the good interfacial bonding between the CNPs and PVA matrix.     

Microwave processing of SiC nanoparticles infused polymer composites: Comparison of thermal and mechanical properties

The goal of this study is to compare thermal and mechanical properties of an epoxy resin system reinforced with SiC nanoparticles using both conventional thermal curing and microwave irradiation techniques. The microwave curing technique has shown potential benefits in processing polymeric nanocomposites by reducing the curing time without compromising the thermo‐mechanical performances of the materials. It was observed from this investigation that, the curing time was drastically reduced to ～30 min for microwave curing instead of 12 h room temperature curing with additional 6 h post curing at 75°C. Ductile behavior was more pronounced for microwave curing technique while thermal curing showed brittle like behavior as revealed from flexural test. The maximum strain to failure was increased by 25–40% for microwave‐cured nanocomposites over the room temperature cured nanocomposites for the same loading of nanofillers. The glass transition temperature (T_g) also increased by ～14°C while curing under microwave irradiation. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41708.     

Study on thermal conductive PA6 composites with 3-dimensional structured boron nitride hybrids

To develop thermally conductive PA6 composites with the aim of decreasing filler content, structure-complexed fillers were fabricated. This research presented an effective approach by noncovalent functionalization of poly(dopamine) (PDA) followed by silver nanoparticles decoration to fabricate 3-dimensional (3-D) structured boron nitride hybrids (BN@PDA@AgNPs). BN hybrids were then introduced into PA6 to prepare thermally conductive PA6 composites. The results demonstrated that PA6/BN hybrids (PMB) composites exhibited higher thermal conducivity compared with PA6/BN composites, which revealed more effective construction of thermal conductive network in the composites with the addition of 3-D structured fillers. The effects of BN hybrids with different loadings on thermal stability, mechanical property, as well as electrical resistance of the composites were also analyzed. Overall, the prepared PMB composites exhibited outstanding performance in thermal conductivity, thermal stability, mechanical property, while retaining good electrical insulating property, which showed a potential application in electronic packaging fields. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 47630.     

The effects of modified zinc oxide nanoparticles on the mechanical/thermal properties of epoxy resin

Characterized by its strength, durability, and thermal properties, epoxy resin has been widely used as an adhesive, paint, and coating in many applications in the aerospace, civil and automotive industries. Despite this, the thermoset polymer resin has been known for its brittleness and low fracture resistance. This study focuses on the reinforcement of an epoxy resin system (diglycidyl ether of bisphenol A) with zinc oxide (ZnO) nanoparticles in their pristine form and a further modified form. The modification took place in two ways: coating with polydopamine (PDA) and covalently functionalizing them with (3-aminopropyl)triethoxysilane (APTES) and (3-glycidoxypropyl)trimethoxysilane (GPTMS). Therefore, four different types of nanoparticles were used: pristine ZnO, ZnO/PDA, ZnO/GPTMS, and ZnO/APTES aiming to improve the interfacial bonding between the polymeric matrix and the reinforcement. Thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy, and scanning electron microscopy characterization and imaging techniques were used to prove that the ZnO nanoparticles were successfully modified prior to manufacturing the epoxy composites. While tensile testing showed that using pristine ZnO increases the composite's strength by 32.14%, the fracture toughness of the resin was improved by 9.40% when reinforced with ZnO functionalized with APTES. TGA showed that the addition of functionalized nanoparticles increases the material's degradation temperature by at most 7.31 ± 4.9°C using ZnO/APTES. Differential scanning calorimetry and dynamic mechanical analysis testing proved that the addition of any type of nanoparticles increases the resin's glass transition temperature by as much as 7.83°C (ZnO/APTES).     

Thermal conductivity of polyimide/boron nitride nanocomposite films

The thermal conductivity of polyimide/boron nitride (PI/BN) nanocomposite thin films has been studied for two sizes of BN nanofillers (40 and 120 nm) and for a wide range of content. A strong influence of BN particle size on the thermal conduction of PI has been identified. In the case of the largest nanoparticles (hexagonal‐BN), the thermal conductivity of PI/h‐BN (120 nm) increases from 0.21 W/mK (neat PI) up to 0.56 W/mK for 29.2 vol %. For the smaller nanoparticles (wurtzite‐BN), PI/w‐BN (40 nm), we observed two different behaviors. First, we see a decrease until 0.12 W/mK for 20 vol % before increasing for higher filler content. The initial phenomenon can be explained by the Kapitza theory describing the presence of an interfacial thermal resistance barrier between the nanoparticles and the polymer matrix. This is induced by the reduction in size of the nanoparticles. Modeling of the experimental results allowed us to determine the Kapitza radius a_K for both PI/h‐BN and PI/w‐BN nanocomposites. Values of a_K of 7 nm and >500 nm have been obtained for PI/h‐BN and PI/w‐BN nanocomposite films, respectively. The value obtained matches the Kapitza theory, particularly for PI/w‐BN, for which the thermal conductivity is expected to decrease compared to that of neat PI. The present work shows that it seems difficult to enhance the thermal conductivity of PI films with BN nanoparticles with a diameter <100 nm due to the presence of high interfacial thermal resistance at the BN/PI interfaces. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42461.     

Improved thermomechanical properties of carbon fiber reinforced epoxy composite using amino functionalized XDCNT

Carbon fiber‐reinforced epoxy composites (CFEC) are fabricated infusing up to 0.40 wt % amino‐functionalized XD‐grade carbon nanotubes (XDCNT) using the compression molding process. Interlaminar shear strength (ILSS) and thermomechanical properties of these composites are evaluated through short beam shear and dynamic–mechanical thermal analysis tests. XDCNTs are infused into Epon 862 resin using a mechanical stirrer followed by sonication. After the sonication, the mixture was placed in a three roll milling processor for three successive cycles at 140 rpm for uniform dispersion of CNTs. Epikure W curing agent was then added to the resin using a high‐speed mechanical stirrer. Finally, the fiber was reinforced with the modified resin using the compressive mold. ILSS was observed to increase by 22% at 0.3 wt % XDCNT loading. Thermal properties, including storage modulus, glass transition temperature, and crosslink density demonstrated linear enhancement up to the 0.3 wt % XDCNT loading. Scanning electron microscopy revealed better interfacial bonding in the CNT‐loaded CFEC. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014 , 131, 40709.     

The impact of polymer matrix blends on thermal and mechanical properties of boron nitride composites

To improve mechanical and thermal properties of a hexagonal boron nitride platelet filled polymer composites, maleic anhydride was studied as a coupling agent and compatibilizer. Injection molded blends of acrylonitrile butadiene styrene (ABS), high-density polyethylene (HDPE), and maleic anhydride with boron nitride filler were tested for thermal conductivity and impact strength to determine whether adding maleic anhydride improved interfacial interactions between matrix and filler and between the polymers. Adding both HDPE and maleic anhydride to ABS as the matrix of the composite resulted in a 40% improvement in impact strength without a decrease in thermal conductivity when compared to an ABS matrix. The best combination of thermal conductivity and impact strength was using pure HDPE as the matrix material. The effective medium theory model is used to help explain how strong filler alignment helps achieve high thermal conductivity, greater than 5 W/m K for 60 wt % boron nitride. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 137, 48661.     

In situ polymerization of polyurethane‐silver nanocomposite foams with intact thermal stability,improved mechanical performance,and induced antimicrobial properties

Silver nanoparticle‐reinforced thermoplastic polyurethane (PU/AgNP) nanocomposite foams were prepared using in situ polymerization techniques in accordance with DOW chemicals’ industrial standards. The foams exhibited improved mechanical performance, induced antimicrobial properties, and intact stability when subjected to a thermal degradation treatment. Scanning electron microscopy (SEM) indicated a homogeneous dispersion of the silver nanoparticle (AgNP) within the polymeric matrix at low filler loadings and a cluster formation at higher loadings. SEM also indicated the agglomeration of the silver nanofiller particles as a result of the thermal degradation treatment, which caused them to lose their nanoscopic characteristics and act as ordinary silver metal. Molecular modeling techniques were used to explain these observations and confirmed the higher repulsive interactions between the polymer chains and the silver nanoparticles with the increase in the nanofiller content. Stress relaxation of the nanocomposites showed optimum mechanical performance and lowest hysteresis for the 0.1% AgNP nanocomposites due to the confinement of the PU chains between the large number of the nanoparticles. Incubation with 0.1% foam inhibited the growth of Klebseilla spp. and Escherichia coli and to some extent Staphylococcus spp. This is very interesting as the same nanocomposite loaded with 0.1% AgNp has also shown the best mechanical performance highlighting the strong action of this “unclustered” low concentration on both the material and biomedical sides. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 43125.     

Improving mechanical properties of poly(vinyl chloride) by doping with organically functionalized reactive nanosilica

Nanosilica particles are functionalized by in situ surface‐modification with trimethyl silane and vinyl silane. Resultant reactive nanosilica (coded as RNS) contains double bonds and possesses good compatibility with vinyl chloride (VC) and polyvinyl chloride (PVC). This makes it feasible for RNS to copolymerize with VC generating RNS/PVC composites via in situ suspension polymerization. As‐prepared RNS/PVC composite resins are analyzed by means of FTIR. The tensile strength and impact strength of compression‐molded RNS/PVC composites are measured and compared with that of compression‐molded PVC composites doped with dispersible nano‐SiO₂ particles (abridged as DNS) surface‐modified with trimethyl silane alone. Moreover, the thermal stability of compression‐molded RNS/PVC and DNS/PVC composites is evaluated by thermogravimetric analysis. It has been found that RNS/PVC composites possess greatly increased impact strength and tensile strength than PVC matrix, while DNS/PVC composites possess higher impact strength than PVC matrix but almost the same tensile strength as the PVC matrix. This implies that DNS is less effective than RNS in improving the mechanical strength of PVC matrix. Particularly, RNS/PVC composites prepared by in situ suspension polymerization have much higher mechanical strength than RNS/PVC composites prepared by melt‐blending, even when their nanosilica content is only 1/10 of that of the melt‐blended ones. Besides, in situ polymerized RNS/PVC and DNS/PVC composites have better thermal stability than melt‐blended nanosilica/PVC composites. Hopefully, this strategy, may be extended to fabricating various novel high‐performance polymer‐matrix composites doped with organically functionalized nanoparticles like RNS. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013     

Simultaneous decision analysis on the structural and mechanical properties of polymeric microcellular nanocomposites foamed using CO2

In this study, the effects of nano Fe₂O₃ content and foaming temperature and time are investigated on the various structural and mechanical properties of polypropylene in a batch foaming process with CO₂ using Taguchi approach. Cell size, relative density, and specific impact strength and hardness are considered as different criteria. The results indicated that the cell sizes are below 10 μm and a 20% improvement is observed in the microcellular nanocomposite samples containing 4 wt % nano Fe₂O₃. A 20% improvement is observed in specific impact strength by increasing 4 wt % of nano Fe₂O₃. Also, a simultaneous decision analysis is performed and the best sample with respect to considered structural and mechanical properties is selected using multi‐criteria decision making methods. The results demonstrated that the microcellular nanocomposite foams containing 4 wt % of nano Fe₂O₃ are the best samples. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 46098.     

Impact of titanium and silica/titanium fumed oxide nanofillers on the elastic properties and thermal decomposition of a polyester resin

The impact of nanoparticles of titanium (rutile) and silica–titanium fumed oxide (STO) on both the acoustic properties and thermal decomposition of a styrene‐crosslinked unsaturated polyester resin were studied with the methods of ultrasonic probing and thermal decomposition mass spectrometry at filler loadings ranging from 0.5 to 5.0%. It was shown that the elastic modulus, Poisson's ratio, and thermal resistivity in the titanium‐filled nanocomposites increased at small loadings of about 0.5%, whereas in the STO‐filled nanoparticles, the decreases in the parameters at loadings of up to 1.5% was replaced by some increases at higher loadings of up to 5.0%. Distinctions in the concentration dependences of the elastic parameters and the thermal decomposition intensity for both fillers could be explained by the features of the polymer–particle interactions because of the differences in both the number of active sites located on the particle's surface and the polymer structure within interface regions. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42010.     

Effect of silk nano‐disc dispersion on mechanical,thermal, and barrier properties of poly(lactic acid) based bionanocomposites

Exacerbated environmental concerns about petroleum‐based plastics provide the impetus to foster sustainable poly(lactic acid) (PLA) based food packaging. Nonetheless, PLA has its foibilities such as its brittleness, higher gas permeability, and slow crystallization. With the intent to mitigate the above shortcomings, we report a maiden effort for the fabrication of PLA/crystalline silk nano‐discs (CSNs) based bionanocomposites by melt‐extrusion for high temperature engineering and food packaging applications. Acid hydrolyzed silk fibroin from muga silk (Antheraea assama) yields CSNs, a crystalline hydrophobic discotic nanofiller with diameter of ～50 nm and thickness ～3 nm. At optimum loadings of 1 wt % uniform dispersed CSNs with percolated network structures covering the entire matrix can be seen. Due to enhanced crystal nucleation density, water vapor, and oxygen permeability reduced by ～30% and ～70%, respectively. Enhancement in toughness, percentage elongation, and tensile strength up to ～65%, ～40%, and ～10%, respectively, is obtained. Onset of thermal decomposition for the PLA/CSN improved ～10 °C, confirming the role of CSN in enhancing melt stability. Accordingly, this investigation renders a novel non‐invasive approach for increasing the crystallinity with improvement in thermomechanical and barrier properties which make this bionanocomposite, a promising candidate for food packaging applications. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 46671.     

Synergy effects in dielectric and thermal properties of layered ethylene vinyl acetate composites with carbon and Fe3O4 nanoparticles

Properties of layered composites with carbon nanotube (CNT), GnP, Fe₃O₄ nanoinclusions, and hybrid composites with these nanoinclusions were investigated in the wide frequency range (from 20 Hz to 2 THz). All investigated composites (except with single Fe₃O₄ inclusions) are above percolation threshold. The strong enhancement of microwave and terahertz radiation absorption is observed in hybrid composites in comparison with composites with single inclusions. The synergy effect is discussed in terms of the complex impedance and the distribution of relaxation times. At low temperatures (below 200 K), the electrical conductivity of all hybrid composites follows the tunneling law model and the lowest potential barrier was estimated for composites with CNT inclusions. The best thermal properties are observed for composites with CNT inclusions. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020 , 137, 48814.     

Crystallinity,ion conductivity,and thermal and mechanical properties of poly(ethylene oxide)–illite nanocomposites with exfoliated illite as a filler

Illite particles were exfoliated by the intercalation and subsequent deintercalation of dimethyl sulfoxide (DMSO) in the interlayer of illite, and the exfoliated illite particles were used to prepare a novel poly(ethylene oxide) (PEO)–illite nanocomposite. The resulting exfoliated illite and PEO–illite nanocomposites were characterized by X‐ray diffraction (XRD), fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), differential scanning calorimetry, ion conductivity testing, thermogravimetry analysis, and mechanical testing. The XRD results showed that the acid treatment of illite to exchange K⁺ in the interlayer of illite with H⁺ was a necessary condition for the DMSO intercalation. SEM micrographs confirmed the exfoliation of the illite particles in the process of DMSO deintercalation from the interlayer of the illite–DMSO intercalation complex. A good dispersion of exfoliated illite in the PEO matrix was also confirmed. A gradual decrease in the PEO crystallinity in the PEO–illite nanocomposites was observed with increasing exfoliated illite concentration. The ion conductivity of the nanocomposites gradually increased with the filler content and reached 3.21 × 10⁻⁵ S/cm at an illite concentration of 20 wt %. The formation of an amorphous region around the exfoliated illite was beneficial for Li⁺‐ion conduction. The ion conductivity significantly increased when the amorphous regions were connected to each other to form a conducting path for Li⁺ ions with a high filler concentration of greater than 10 wt %. Meanwhile, the thermooxidative stability and mechanical properties of the PEO–illite nanocomposites were also enhanced when exfoliated illite was introduced into the polymer matrix. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 44226.     

Effect of nano‐silica on the mechanical,thermal, and crystalline properties of poly(vinyl alcohol)/nano‐silica films

Poly(vinyl alcohol)/nano‐silica (PVA/nano‐SiO₂) films were prepared through extrusion blowing with the addition of water and glycerin as plasticizer. The characteristic properties of PVA/nano‐SiO₂ films were investigated by differential scanning calorimetry, dynamic mechanical analysis, Haake torque rheometry, and atomic force microscopy (AFM). The results showed that the mechanical properties of PVA/nano‐SiO₂ were improved dramatically. The tensile strength of the nanofilms increased from 62 MPa to 104 MPa with loading 0.3 wt % nano‐SiO₂ and the tear strength was improved from 222 KN/m to 580 KN/m. The crystallinity of the films loaded with 0.4 wt. % nano‐SiO₂ decreased from 32.2% to 21.0% and the AFM images indicated that the amorphous region of nanofilms increased with increasing nano‐SiO₂ content. The storage modulus and loss modulus increased to two and nearly three times with 0.3 wt % nano‐SiO₂ loading. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013     

Exfoliated and functionalized boron nitride nanosheets towards improved fire resistance and water tolerance of intumescent fire retardant coating

In this work, the exfoliated and functionalized boron nitride (f-BN) nanosheets were prepared via facile treatment and used in the intumescent fire retardant (IFR) coatings, which offer passive fire protection to the steel. To acquire the best fire resistance, the formula of the coating was optimized using response surface methodology (RSM) based on central composite design. According to the result, the optimal sample, with 36.2 wt% ammonium polyphosphate (APP), 27.4 wt% pentaerythritol (PER), 16.8 wt% melamine (MEL), and 7.9 wt% f-BN, was prepared and its fire resistance was tested in our lab. At the end of fire resistance test, the backside temperature of optimal sample was only 185.2°C, which was very close to the RSM-predicted result, indicating satisfactory fire resistance. During the test, the coating decomposed to form an intumescent char layer with high graphitization degree and compactness, thus suppressing the transfer of heat and protecting the underlying steel. In addition, the optimal coating possessed great water tolerance and thermal stability, and its water contact angle and char yield reached up to 66.7° and 40.5%, respectively. Hence, this IFR coating with satisfied fire retardancy and water tolerance has broad practical future in the fire safety of steel structure.     

Effect of ZnO nanoparticles obtained by arc discharge on thermo‐mechanical properties of matrix thermoset nanocomposites

Through the development of nanotechnology it has been widely studied the morphology and size control in nanopowders synthesis. However, most of these techniques are successful to synthesize nanopowders in a small scale. In this research, a large semi‐industrial scale synthesis method is proposed, named continuous arc discharge in controlled atmosphere (DARC‐AC). Using this technique, it is possible to directly obtain clean nanostructures (low amount of impurities) with more than 90% of particles below 100 nm. In this study, the method utilizes metallic zinc and oxygen as precursors in order to produce ZnO. The ZnO nanopowders were incorporated in a thermoset polymer (epoxy resin) to study their influence on the thermo‐mechanical properties of the matrix. As main results, the mechanical properties of the nanocomposite epoxy/ZnO nanoparticles (ZnO‐NPs) do not differ from the original properties of the epoxy resin. Nevertheless, thermal behavior, conductivity, and diffusivity properties of the nanocomposite are improved. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 43631.     

Enhanced mechanical and anisotropic thermal conductive properties of polyimide nanocomposite films reinforced with hexagonal boron nitride nanosheets

To attain thermally conductive but electrically insulating polymer films, in this study, polyimide (PI) nanocomposite films with 1–30 wt% functionalized hexagonal boron nitride nanosheets (BNNSs) were fabricated via solution casting and following imidization. The microstructures, mechanical and thermal conductive properties of PI/BNNS nanocomposite films were examined by taking account of the relative content, anisotropic orientation, and interfacial interaction of BNNS and PI matrix. The scanning electron microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, and X-ray diffractometry data revealed that BNNSs with hydroxy and amino functional groups have specific molecular interactions with PI matrix and they form stacked aggregates in the nanocomposite films with high BNNS loadings of 10–30 wt%. The tensile mechanical strength/modulus, thermal degradation temperatures, and thermal conductivity of the nanocomposite films were found to be significantly enhanced with increasing the BNNS loadings. For the nanocomposite films with 1–30 wt% BNNS loadings, the in-plane thermal conductivity was measured to be 1.82–2.38 W/mK, which were much higher than the out-of-plane values of 0.35–1.14 W/mK. The significant anisotropic thermal conductivity of the nanocomposite films was found to be owing to the synergistic anisotropic orientation effects of both BNNS and PI matrix. It is noticeable that the in-plane and out-of-plane thermal conductivity values of the nanocomposite film with 30 wt% BNNS were ~1.31 and ~3.35 times higher than those of neat PI film, respectively.     

Comparison of mechanical properties of heat‐polymerized acrylic resin with silver nanoparticles added at different concentrations and sizes

The aim of this study was to investigate the effect of silver nanoparticles (AgNPs) incorporation on the flexural strength (FS) of poly(methyl methacrylate) (PMMA). PMMA specimens (65 mm × 10 mm × 3.3 mm for flexural test, 50 mm × 6 mm × 4 mm for impact test) containing different sizes (40, 50, 60 nm) and concentrations (0.05%, 0.2%) of AgNPs were prepared, along with a control group with no AgNP. Impact strength (IS) and FS of all specimens were measured, and one‐way ANOVA and Tukey–Kramer post hoc multiple comparisons tests were used to identify any statistical differences between groups. The addition of AgNPs has no effect on IS of PMMA. The incorporation of AgNPs affected the FS of PMMA depending on the concentration of nanoparticles. The addition of large‐sized nanoparticles to PMMA increases its FS. Accordingly, adding AgNP with proper concentrations to PMMA may enhance the mechanical properties of denture bases used in clinical practice. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 45807.     

Comparison of graphene oxide and graphitic carbon nitride filled carbon–phenolic composites: Thermomechanical properties and role of the strong electronegativity of nanofillers

Carbon–phenolic (CF–PR) composites with 0.1 wt % graphene oxide (GO) and acidified graphitic carbon nitride (ag‐C₃N₄) were synthesized and characterized to understand their thermal properties. The thermal conductivity, coefficient thermal expansion, dynamic mechanical analysis, and scanning electron microscopy were used in our experimental efforts. The results demonstrate that the ag‐C₃N₄‐filled composite had 17.17% and 54% reductions in the thermal conductivity and coefficient thermal expansion, respectively, when compared with the neat composite, although the GO‐filled showed a 8.54% decrease and a 30% increase, respectively. Furthermore, reactive molecular dynamics simulation was used to investigate the mechanisms at the atomistic level when the composites are subjected to thermal behavior. The simulated results show that the influence of GO and ag‐C₃N₄ on the thermal conductivities of the composites was different. Lowly loaded GO favored the more interfacial thermal resistance. However, the stronger electronegativity in ag‐C₃N₄ favored the formation of a vacuum zone in the matrix; this contributed to increasing the interfacial boundaries and defect scattering. The simulation results are expected to be of great help to serve as a guide for further experiments concerning the thermal properties. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 46242.