Effects of temperature and hard segment content on the interfacial mechanical properties of graphene/thermoplastic polyurethane composites: A molecular dynamics study

Wang, Yuyang; Guang-ping, Zhang; Shang, L.

doi:10.1016/j.commatsci.2022.111635

Cited by 13 publications

(9 citation statements)

References 41 publications

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“…Overall, the effect of bending resulted in a much greater decrease for the gauge factor than that of temperature. To better understand such a phenomenon, we introduced two more polymers with different segmental structures embedded with MXene nanosheets for a series of control experiments (see Figure b). ,, As indicated in Figure (c,d), after the substitution of PDMS with Ecoflex or TPU, the Δ I / I 0 significantly decreased and the corresponding gauge factor decreased 89 and 70% after severe bending under the same condition, respectively. Moreover, the fatigue properties of both Ecoflex and TPU samples also showed an approximately linear dependence on temperature.…”

Section: Results and Discussionmentioning

confidence: 99%

Effect of Interfacial Modification on the Low-Temperature Fatigue Properties of Polymer/MXene Flexible Pressure Sensors

Men,

Huang,

2024

ACS Appl. Mater. Interfaces

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Maintaining an excellent force-electric response under cyclic bending at low temperatures is still challenging for resistive-type electrically conductive polymer composite-based pressure sensors. In this study, the effect of low temperature on the fatigue failure of flexible MXene/polymer pressure sensors was systematically investigated through the silane functionalization of MXene nanosheets embedded with different polymer matrixes. The results show that the MXene/polymer interfaces are the primary factors affecting the temperature-dependent bending fatigue of the Cu/MXene/polymer/ Cu sensor. Using finite element analysis and theoretical calculations, we reveal that the MXene/polymer interfaces are affected by free volume changes and the molecular chain motion under different temperatures. At room temperature, the well-distributed free volume in the polydimethylsiloxane (PDMS) matrix permits local segmental mobility that promotes the affinity between the polymer and MXene. As the temperature decreases, the free volume in the matrix shrinks with less space left for molecular chains to slide relatively, weakening the polymer/MXene interfacial bonding strength. However, for PDMS/MXene sensors with the interface modified using the silane coupling agent KH550, the nanoconstrained structure formed by strong hydrogen bonds and covalent bonds at the PDMS/MXene interface can hinder the mobility of polymer chains, which greatly helps to dissipate the inter/intrachain friction. It thus alleviates the debonding energy dissipation during cyclic bending at subzero temperatures.

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Section: Results and Discussionmentioning

confidence: 99%

Effect of Interfacial Modification on the Low-Temperature Fatigue Properties of Polymer/MXene Flexible Pressure Sensors

Men,

Huang,

2024

ACS Appl. Mater. Interfaces

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“…The gradual decrease in F smax and τ max is mainly due to the weakening of interfacial interactions 42 . As the temperature increases, the atomic activity and vibration amplitude inside the Al 2 O 3 matrix becomes larger, 43,44 making the active range of Al and O atoms larger 45 . Therefore, the interaction of the C atoms in graphene with the Al and O atoms in Al 2 O 3 is reduced and the interfacial mechanical properties are reduced.…”

Section: Resultsmentioning

confidence: 99%

Effects of graphene pull‐out on the interfacial mechanical properties of alumina/graphene nanocomposite ceramic tool materials: Molecular dynamics analysis and material preparation

Lu,

Chen,

Zhang

et al. 2023

Int J Applied Ceramic Tech

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The interfacial mechanical properties of the alumina/graphene (Al2O3/GR) nanocomposite ceramic tool materials were studied by molecular dynamic simulations. The effects of pull‐out velocity of graphene, system temperature, vacancy defect, and wrinkled graphene on the interfacial mechanical properties were investigated. Results show that a large interfacial shear stress (382 MPa) exists between the Al2O3/GR interface. The maximum pull‐out force and interfacial shear stress increase with increasing graphene pull‐out velocity. The increase of temperature reduces the maximum pull‐out force and interfacial shear stress. Moreover, the load transfer capacity is reduced and the creep of the matrix occurs. These factors reduce the fracture toughness of the Al2O3/GR nanocomposites. A moderate amount of vacancy defects in graphene increases the interfacial pull‐out force and shear stress of Al2O3/GR nanocomposite ceramic tool. Compared with Al2O3/GR nanocomposite ceramic tools, the interfacial interaction energy and shear stress of pleated graphene and Al2O3 were increased by 13.87% and 41.08% respectively, with better toughening and reinforcement. The results are of significance in further understanding of the interfacial mechanical properties at the nanoscale and then beneficial to improve the mechanical properties and engineering performance of Al2O3/GR composite ceramic materials.This article is protected by copyright. All rights reserved

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Section: Introductionmentioning

confidence: 99%

“…Thermoplastic polyurethane elastomer is a linear polymer material with oligomeric polyol as the soft segment and diisocyanate and small molecule polyol as the hard segment. 8 Compared with traditional UV protection materials, polyurethane (PU) has the advantages of high elasticity and good biocompatibility. 9 Due to the diversity of formulations and outstanding performance, PU has been widely used in various fields of industry and life, such as biomedicine, auto parts, sports equipment, films, pipes, etc.…”

Section: Introductionmentioning

confidence: 99%

Colorless, Transparent, and High-Performance Polyurethane with Intrinsic Ultraviolet Resistance and Its Anti-UV Mechanism

Huang

Yao

Huang

et al. 2023

ACS Appl. Mater. Interfaces

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Polyurethane (PU) is a widely used polymer material that will age under prolonged exposure to ultraviolet (UV) light, shortening the service life. Several methods have been used to prepare the anti-UV PU, including adding nonreactive anti-UV additives, functional fillers, and biological antioxidant molecules. However, the nonreactive anti-UV additives may migrate during long-term use, the functional fillers may damage the mechanical properties and seriously reduce the light transmittance of the sample, and the biological antioxidant molecules will inevitably color the sample. To solve these problems, in this work, a benzotriazole UV absorber (Chiguard R-455) was introduced into the PU molecular chains by in situ polymerization to prepare the nonmigrating intrinsic anti-UV PU sample with high performance and colorless transparency. The anti-UV PU samples exhibit light transmittance of over 88% in the visible range and superior mechanical properties with tensile strength higher than 65 MPa and elongation at break higher than 900%. After 24 h UV irradiation (200 W, 365 nm), the tensile strength and elongation at break of pure PU sample are significantly reduced to only 8.9 and 15.8% of the original one, respectively. On the contrary, the addition of Chiguard R-455 will endow the PU sample with excellent anti-UV performance. After 24 h UV irradiation, the tensile strength (67.2 ± 1.6 MPa) and elongation at break (917.4 ± 30.0%) of PU-0.5% (the content of Chiguard R-455 is only 0.5 wt %) have changed little compared with the sample without irradiation (67.4 ± 3.5 MPa and 919.4 ± 26.5%). Additionally, the anti-UV mechanism of the PU sample is systematically studied. This work provides a feasible method for preparing colorless, transparent, high-performance, nonmigrating intrinsic UV-shielding PU samples, which can be used as a UV light-shielding material in various fields with visible and aesthetic requirements, such as protection fields and wearable products.

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Effects of temperature and hard segment content on the interfacial mechanical properties of graphene/thermoplastic polyurethane composites: A molecular dynamics study

Cited by 13 publications

References 41 publications

Effect of Interfacial Modification on the Low-Temperature Fatigue Properties of Polymer/MXene Flexible Pressure Sensors

Effect of Interfacial Modification on the Low-Temperature Fatigue Properties of Polymer/MXene Flexible Pressure Sensors

Effects of graphene pull‐out on the interfacial mechanical properties of alumina/graphene nanocomposite ceramic tool materials: Molecular dynamics analysis and material preparation

Colorless, Transparent, and High-Performance Polyurethane with Intrinsic Ultraviolet Resistance and Its Anti-UV Mechanism

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