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1.
Adv Mater ; : e2407717, 2024 Aug 07.
Article in English | MEDLINE | ID: mdl-39113326

ABSTRACT

The design of a low-iridium-loading anode catalyst layer with high activity and durability is a key challenge for a proton exchange membrane water electrolyzer (PEMWE). Here, the synthesis of a novel supported IrO2 nanocatalyst with a tri-layered structure, dubbed IrO2@TaOx@TaB that is composed of ultrasmall IrO2 nanoparticles anchored on amorphous TaOx overlayer of TaB nanorods is reported. The composite electrocatalyst shows great activity and stability toward the oxygen evolution reaction (OER) in acid, thanks to its dual-interface structural feature. The electronic interaction in IrO2/TaOx interface can regulate the coverage of surface hydroxyl groups, the Ir3+/ Ir4+ ratio, and the redox peak potential of IrO2 for enhancing OER activity, while the dense TaOx overlayer can prevent further oxidation of TaB substrate and stabilize the IrO2 catalytic layers for improving structural stability during OER. The IrO2@TaOx@TaB can be used to fabricate an anode catalyst layer of PEMWE with an iridium-loading as low as 0.26 mg cm-2. The low-iridium-loading PEMWE delivers high current densities at low cell voltages (e.g., 3.9 A cm-2@2.0 V), and gives excellent activity retention for more than 1500 h at 2.0 A cm-2 current density.

2.
Materials (Basel) ; 17(15)2024 Aug 02.
Article in English | MEDLINE | ID: mdl-39124493

ABSTRACT

In this paper, we propose a new approach for numerically simulating the growth of cracks in unidirectional composite materials, termed extended isogeometric analysis, evaluating the maximum stress intensity factor and T-stress. To validate our approach, we used a small anisotropic plate with two edge cracks, beginning with formulating the governing equations based on the energy integral method, Stroh's Formula, and the Elastic Law describing the behaviour of anisotropic materials, while considering boundary conditions and initial states. A MATLAB code was developed to solve these equations numerically and to post-process the tensile stress and the stress intensity factor (SIF) in the first mode. The results for the SIF closely match those obtained using the extended finite element method (X-FEM), with a discrepancy of only 0.0021 Pa·m0.5. This finding underscores the credibility of our approach. The extended finite element method has demonstrated robustness in predicting crack propagation in composite materials in recent years, leading to its adoption by several widely used software packages in various industries.

3.
Front Physiol ; 15: 1438194, 2024.
Article in English | MEDLINE | ID: mdl-39113939

ABSTRACT

Background: Ankle sprains are prevalent in sports, often causing complex injuries to the lateral ligaments. Among these, anterior talofibular ligament (ATFL) injuries constitute 85%, and calcaneofibular ligament (CFL) injuries comprise 35%. Despite conservative treatment, some ankle sprain patients develop chronic lateral ankle instability (CLAI). Thus, this study aimed to investigate stress response and neural control alterations during landing in lateral ankle ligament injury patients. Method: This study recruited twenty individuals from a Healthy group and twenty CLAI patients performed a landing task using relevant instruments to collect biomechanical data. The study constructed a finite element (FE) foot model to examine stress responses in the presence of laxity of the lateral ankle ligaments. The lateral ankle ligament was modeled as a hyperelastic composite structure with a refined representation of collagen bundles and ligament laxity was simulated by adjusting material parameters. Finally, the validity of the finite element model is verified by a high-speed dual fluoroscopic imaging system (DFIS). Result: CLAI patients exhibited earlier Vastus medialis (p < 0.001) and tibialis anterior (p < 0.001) muscle activation during landing. The FE analysis revealed that with laxity in the ATFL, the peak von Mises stress in the fifth metatarsal was 20.74 MPa, while with laxity in the CFL, it was 17.52 MPa. However, when both ligaments were relaxed simultaneously, the peak von Mises stress surged to 21.93 MPa. When the ATFL exhibits laxity, the CFL is subjected to a higher stress of 3.84 MPa. Conversely, when the CFL displays laxity, the ATFL experiences a peak von Mises stress of 2.34 MPa. Conclusion: This study found that changes in the laxity of the ATFL and the CFL are linked to shifts in metatarsal stress levels, potentially affecting ankle joint stability. These alterations may contribute to the progression towards CLAI in individuals with posterolateral ankle ligament injuries. Additionally, significant muscle activation pattern changes were observed in CLAI patients, suggesting altered neural control strategies post-ankle ligament injury.

4.
Fungal Biol Biotechnol ; 11(1): 11, 2024 Aug 10.
Article in English | MEDLINE | ID: mdl-39127744

ABSTRACT

BACKGROUND: Recent advancements in the collaboration between two scientific disciplines-fungal biotechnology and materials sciences-underscore the potential of fungal mycelium as renewable resource for sustainable biomaterials that can be harnessed in different industries. As fungal mycelium can be biotechnologically obtained from different filamentous fungi and is as a material very versatile, respective research and commercial application should be thriving. However, some granted patents in the field of fungal mycelium-based materials have caused uncertainty in the community as to which subject matter is patent-protected and for how long the protection is expected to last. RESULTS: This opinion paper therefore maps the patent landscape of fungal mycelium-based materials with a specific focus on technical applications including building construction, insulation, packaging, and the like. We provide an overview of granted patents (73) and pending applications (34) related to granted patents, the dominant patent portfolios (five, with the number of patents and/or applications per owner between six and 44), the patent owners, and highlight the key claims formulated to protect the inventions. Additionally, we outline various options towards an increased activity in the field. CONCLUSION: Patent developments in the field leave the impression that fungal materials, despite their high potential as renewable and biodegradable materials, have been held back due to patent over-protection. Considering the need for replacing current petroleum-based materials with renewable biomaterials, coordinated efforts may be called for to intensify efforts in the field.

5.
Materials (Basel) ; 17(16)2024 Aug 06.
Article in English | MEDLINE | ID: mdl-39203078

ABSTRACT

This study explores the use of pine wood biochar (BC) waste gasified at 950 °C as fillers in polymer matrices to create BC@biopolymer composites with perspectives in groundwater remediation. Four biochar samples underwent different sieving and grinding processes and were extensively characterized via UV-Vis, FTIR, and FESEM-EDS, highlighting the fact that that BCs are essentially graphitic in nature with a sponge-like morphology. The grinding process influences the particle size, reducing the specific surface area by about 30% (evaluated by BET). The adsorption performances of raw BC were validated via an adsorption isotherm using trichloroethylene (TCE) as a model contaminant. A selected BC sample was used to produce hydrophilic, stable polymer composites with chitosan (CS), alginate (ALG), potato starch (PST), and sodium carboxymethylcellulose (CMC) via a simple blending approach. Pilot sedimentation tests over 7 days in water identified BC@PST and BC@CMC as the most stable suspensions due to a combination of both hydrogen bonds and physical entrapment, as studied by FTIR. BC@CMC showed optimal distribution and retention properties without clogging in breakthrough tests. The study concludes that biopolymer-based biochar composites with improved stability in aqueous environments hold significant promise for addressing various groundwater pollution challenges.

6.
Materials (Basel) ; 17(16)2024 Aug 08.
Article in English | MEDLINE | ID: mdl-39203114

ABSTRACT

To address the challenges of slow curing speed and suboptimal microwave absorption during the paving of cold-mixed and cold-laid asphalt mixtures, this study introduces SiC-Fe3O4 composite material (SF) into emulsified asphalt mixtures to enhance microwave absorption and accelerate curing via microwave heating. Initially, based on the maximum density curve theory, an appropriate mineral aggregate gradation was designed, and the optimal ratio of emulsified asphalt mixture was determined through mixing tests, cohesion tests, wet wheel wear tests, and load wheel sand adhesion tests. Subsequently, the influence of SF content on the mixing performance of emulsified asphalt mixtures was analyzed through mixing and consistency tests. Finally, the microwave absorption performance of the mixture was evaluated by designing microwave heating tests under different conditions, using temperature indicators and quality indicators. The experimental results indicate that when SF content ranges from 0% to 4%, the mixing performance of the emulsified asphalt mixture meets specification requirements. The dosage of SF, SF composite ratio, and microwave power significantly impact microwave absorption performance, whereas environmental temperature has a relatively minor effect. The optimal mix ratio for the emulsified asphalt mixture is mineral aggregate:modified emulsified asphalt:water:cement = 100:12.8:6:1. The ideal SF dosage is 4%, with an optimal SiC to Fe3O4 composite ratio of 1:1, and a suitable microwave power range of 600-1000 W.

7.
Materials (Basel) ; 17(16)2024 Aug 15.
Article in English | MEDLINE | ID: mdl-39203233

ABSTRACT

The large-scale use of composite materials reinforced with carbon-aramid hybrid fabric in various outdoor applications, which ensures increased mechanical resistance including in impact loadings, led to the need to investigate the effects of aggressive environmental factors (moisture absorption, temperature, thermal cycles, ultra-violet rays) on the variation of their mechanical properties. Since the literature is still lacking in research on this topic, this article aims to compare the low-velocity impact behaviour of two carbon-aramid hybrid composite materials (with and without rubber core) and to investigate the effects of water absorption on impact properties. The main objectives of this research were as follows: (i) the investigation of the mechanical behavior in tests for two impact energies of 25 J and 50 J; (ii) comparison of the results obtained in terms of the force, displacement, velocity, and energy related to the time; (iii) analysis of the water absorption data; (iii) low-velocity impact testing of wet specimens after saturation; (iv) comparison between the impact behaviour of the wet specimens with that of the dried ones. One of the main findings was that for the wet specimens without rubber core, absorbed impact energy was 16% less than the one recorded for dried specimens at an impact energy of 50 J. The failure modes of the dried specimens without rubber core are breakage for both carbon and aramid fibres, matrix cracks, and delamination at matrix-fibre interfaces. The degradation for the wet specimens with rubber core is much more pronounced because the decrease in the absorbed impact energy was 53.26% after 10,513 h of immersion in water and all the layers were broken.

8.
Materials (Basel) ; 17(16)2024 Aug 22.
Article in English | MEDLINE | ID: mdl-39203341

ABSTRACT

Corrosion of steel is an issue that cannot be ignored in contemporary society. Due to large-scale corrosion, it is urgent to develop a surface treatment process that enhances the corrosion resistance of steel, allowing for application in various scenarios as needed. This study aims to investigate a novel surface treatment process to extend the service life of corroded Q235 steel, reduce its sensitivity to corrosion, and enable its use in multiple environments. This study employs the sol-gel method, using manganese nitrate solutions of varying concentrations to treat the surface of Q235 steel after different electrolysis times. The optimal conditions for precursor preparation were found to be a Mn2+ concentration of 0.1 mol/L and an electrolysis time of 2 h. Electrochemical tests using NaCl solutions of different concentrations revealed a significant reduction in the corrosion current for the composite coating based on Q235 steel treated with this method in NaCl solutions with wt.% = 1, 2, 3, 4, 5. Furthermore, the resistance to corrosion was strongest in the NaCl solution with a concentration of 1 wt.% where the corrosion current decreased from 24.8 µA/cm2 to 6.79 µA/cm2. Additionally, the coating was found to be diffusion-controlled in the early stages of the corrosion process and charge transfer-controlled in the later stages. The MnFe2O4 spinel coating demonstrated the greatest enhancement in corrosion resistance in the wt.% = 1 NaCl solution.

9.
Micromachines (Basel) ; 15(8)2024 Jul 30.
Article in English | MEDLINE | ID: mdl-39203633

ABSTRACT

The piezoelectric effect refers to a physical phenomenon where piezoelectric materials generate an electric field when subjected to mechanical stress or undergo mechanical deformation when subjected to an external electric field. This principle underlies the operation of piezoelectric sensors. Piezoelectric sensors have garnered significant attention due to their excellent self-powering capability, rapid response speed, and high sensitivity. With the rapid development of sensor techniques achieving high precision, increased mechanical flexibility, and miniaturization, a range of flexible electronic products have emerged. As the core constituents of piezoelectric sensors, flexible piezoelectric composite materials are commonly used due to their unique advantages, including high conformability, sensitivity, and compatibility. They have found applications in diverse domains such as underwater detection, electronic skin sensing, wearable sensors, targeted therapy, and ultrasound diagnostics for deep tissue. The advent of flexible piezoelectric composite materials has revolutionized the design concepts and application scenarios of traditional piezoelectric materials, playing a crucial role in the development of next-generation flexible electronic products. This paper reviews the research progress on flexible piezoelectric composite materials, covering their types and typical fabrication techniques, as well as their applications across various fields. Finally, a summary and outlook on the existing issues and future development of these composite materials are provided.

10.
Polymers (Basel) ; 16(13)2024 Jun 25.
Article in English | MEDLINE | ID: mdl-39000642

ABSTRACT

Wood-plastic composites are becoming increasingly recognized for their sustainability and their potential for use in various production processes. Nevertheless, enhancing their mechanical strength continues to be a difficult challenge. The objective of this research was to improve the mechanical strength of wood-plastic composite components manufactured through selective laser sintering (SLS). This was achieved by integrating a sustainable composite material, Prosopis chilensis (PCP), with polyethersulfone (PES) to form a composite referred to as PCPC. This study showcased the effect of various PCP particle sizes on mechanical strengths, dimensional accuracies (DAs), and surface roughness of PCPC parts manufactured using AFS-360 SLS. Single-layer sintering was employed to assess PCPC powder's formability with varying PCP particle sizes, and various tests were conducted to understand the materials' thermal properties and analyze particle dispersion and microstructure. The results demonstrated that PCP particle sizes ≤ 0.125 mm significantly enhanced the mechanical strength, forming quality, and DA compared to other particle sizes and pure PES. Key findings for PCPC parts with PCP ≤ 0.125 mm included a bending strength of 10.78 MPa, a tensile strength of 4.94 MPa, an impact strength of 0.91 kJ/m2, and a density of 1.003 g/cm3. Post-processing further improved these parameters, confirming that optimizing PCP particle size is crucial for enhancing the mechanical properties and overall quality of PCPC parts produced via SLS.

11.
Philos Trans A Math Phys Eng Sci ; 382(2277): 20230304, 2024 Aug 23.
Article in English | MEDLINE | ID: mdl-39005022

ABSTRACT

The dynamical problem of linear thermoelasticity for a body with incorporated thin rectilinear inclusions is studied. It is assumed that the inclusions (i.e. filaments and threads) are parallel to each other and the problem contains a small parameter [Formula: see text], which characterizes the distance between two neighbouring inclusions. Using the two-scale convergence approach, we find the limiting problem as [Formula: see text]. As a result, we get a well-posed homogenized model of an anisotropic inhomogeneous body with effective characteristics inheriting thermomechanical properties of inclusions.This article is part of the theme issue 'Non-smooth variational problems with applications in mechanics'.

12.
Molecules ; 29(13)2024 Jul 02.
Article in English | MEDLINE | ID: mdl-38999094

ABSTRACT

With the development of miniaturization and integration of electrical and electronic equipment, the heat accumulation problems caused by the long-term operation of devices have become more and more serious. High thermal-conductivity and high-performance plastic composites have attracted significant interest from both academia and industry. Numerous studies have been recently conducted to enhance the thermal conductivity (TC) of nanofiller-filled polymeric composites. However, the homogeneous dispersion and directional arrangement of nanofillers in the resin matrix are the key factors limiting their effectiveness in enhancing thermal conductivity. Based on the feasibility considerations of mass production and industrial application, this paper reports on a novel preparation method of Poly(decamethylene terephthalamide)/graphite nanoparticle (GNP) nanocomposites with high thermal conductivity. Without borrowing solvents or other reagents, this method can effectively strip the inexpensive scaled graphite into nanoscale for its uniform dispersion and orientation arrangement by relying only on mechanical external forces. The whole technology is simple, green, and easy to industrialize. The fillers were well-dispersed and aligned in the PA10T, which played a role in significantly enhancing the thermal conductivity of the PA10T. In addition, we found that the thermal conductivity of the composites reached 1.20 W/(m·K) at 10 wt% filler content, which was 330% higher than that of the pure matrix. The mechanical properties of the composites were also significantly improved. This work provides guidance for the easy fabrication of thermally conductive composites with aligned structures.

13.
ACS Appl Mater Interfaces ; 16(31): 41596-41615, 2024 Aug 07.
Article in English | MEDLINE | ID: mdl-39066695

ABSTRACT

MXene emerges as a premier candidate for electromagnetic shielding owing to its unique properties as a novel two-dimensional material. Its exceptional electrical conductivity, chemical reactivity, surface tunability, and facile processing render it highly suitable for diverse electromagnetic shielding applications. The research status of MXene and MXene-based electromagnetic shielding materials is systematically discussed in this paper. First, the research status of MXene as a single-component electromagnetic shielding material is briefly introduced. Subsequently, the research status of composite structures constructed by MXene with polymers, carbon derivatives, and ferrites is introduced in detail. Furthermore, the research progress of MXene-based ternary and quaternary composite electromagnetic shielding materials is further focused. Finally, the application of MXene-based composite electromagnetic shielding materials is prospected. A deeper understanding of MXene's electromagnetic shielding properties is facilitated by this paper, providing the direction for the future development of two-dimensional materials in the design and processing of electromagnetic shielding materials.

14.
Interface Focus ; 14(3): 20230071, 2024 Jun.
Article in English | MEDLINE | ID: mdl-39081622

ABSTRACT

Spider silk is a tough and versatile biological material combining high tensile strength and extensibility through nanocomposite structure and its nonlinear elastic behaviour. Notably, spiders rarely use single silk fibres in isolation, but instead process them into more complex composites, such as silk fibre bundles, sheets and anchorages, involving a combination of spinneret, leg and body movements. While the material properties of single silk fibres have been extensively studied, the mechanical properties of silk composites and meta-structures are poorly understood and exhibit a hereto largely untapped potential for the bio-inspired design of novel fabrics with outstanding mechanical properties. In this study, we report on the tensile mechanics of the adhesive capture threads of the Southern house spider (Kukulcania hibernalis), which exhibit extreme extensibility, surpassing that of the viscid capture threads of orb weavers by up to tenfold. By combining high-resolution mechanical testing, microscopy and in silico experiments based on a hierarchical modified version of the Fibre Bundle Model, we demonstrate that extreme extensibility is based on a hierarchical loops-on-loops structure combining linear and coiled elements. The stepwise unravelling of the loops leads to the repeated fracture of the connected linear fibres, delaying terminal failure and enhancing energy absorption. This principle could be used to achieve tailored fabrics and materials that are able to sustain high deformation without failure.

15.
Int J Biol Macromol ; 276(Pt 1): 133748, 2024 Sep.
Article in English | MEDLINE | ID: mdl-38986996

ABSTRACT

Poly-L-lactic acid (PLLA), recognized as a piezoelectric material, not only demonstrates exceptional piezoelectric properties but also exhibits commendable biocompatibility and biodegradability. These properties render PLLA highly promising for diverse applications, including sensors, wearable devices, biomedical engineering, and related domains. This review offers a comprehensive overview of the distinctive piezoelectric effect of PLLA-based material and delves into the latest advancements in its preparation strategies as a piezoelectric material. It further presents recent research progress in PLLA-based piezoelectric materials, particularly in the realms of health monitoring, skin repair, nerve regeneration, and tissue repair. The discourse extends to providing insights into potential future trajectories for the development of PLLA-based piezoelectric materials.


Subject(s)
Biocompatible Materials , Polyesters , Polyesters/chemistry , Biocompatible Materials/chemistry , Humans , Animals , Tissue Engineering/methods , Wearable Electronic Devices , Biomedical Engineering/methods
16.
Polymers (Basel) ; 16(14)2024 Jul 18.
Article in English | MEDLINE | ID: mdl-39065372

ABSTRACT

Nanocellulose (NC) is a promising material for drug delivery due to its high surface area-to-volume ratio, biocompatibility, biodegradability, and versatility in various formats (nanoparticles, hydrogels, microspheres, membranes, and films). In this study, nanocellulose films were derived from "Bolaina blanca" (Guazuma crinita) and combined with nanoporous silicon microparticles (nPSi) in concentrations ranging from 0.1% to 1.0% (w/v), using polyvinyl alcohol (PVA) as a binding agent to create NC/nPSi composite films for drug delivery systems. The physicochemical properties of the samples were characterized using UV-Vis spectroscopy, scanning electron microscopy (SEM), Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR), X-ray diffraction (XRD), and thermogravimetric analysis (TGA). The mechanical properties and drug release capabilities were also evaluated using methylene blue (MB) as an antibacterial drug model. Antibacterial assays were conducted against S. aureus and E. coli bacteria. The results show that NC/nPSi composites with 1% nPSi increased the T50% by 10 °C and enhanced mechanical properties, such as a 70% increase in the elastic modulus and a 372% increase in elongation, compared to NC films. Additionally, MB released from NC/nPSi composites effectively inhibited the growth of both bacteria. It was also observed that the diffusion coefficients were inversely proportional to the % nPSi. These findings suggest that this novel NC/nPSi-based material can serve as an effective controlled drug release system.

17.
Sci Rep ; 14(1): 17186, 2024 Jul 26.
Article in English | MEDLINE | ID: mdl-39060445

ABSTRACT

In recent years, the use of Building Information Modeling (BIM) with Building Energy Modeling (BEM) has become the primary research focus for reducing the energy consumption of buildings in the planning and operational phases. The combination of BIM and BEM offers advantages for the various phases of a construction project. However, there are currently very few studies that can integrate multi-objective optimization algorithms into the BIM-BEM process to achieve automatic optimization and effectively manage many aspects of building development. In this study, an EnergyPlus integrated multi-objective jellyfish search (EP-MOJSO) system was developed, utilizing an optimization algorithm to find the best thermal insulation layers for an Aluminum composite material (ACM) wall. The goal is to reduce the energy consumption and total cost in a BIM-BEM environment. In the case study, the authors successfully applied the system to a real building, resulting in a 10.7% reduction in total cost and a 65 kWh/m2/year reduction in EUI. It is expected that the results of the study will open up new ways of using algorithms for multi-criteria optimization in BIM models to optimize various project factors such as energy and total cost and thus make an important contribution to sustainable building design.

18.
J Colloid Interface Sci ; 675: 970-979, 2024 Dec.
Article in English | MEDLINE | ID: mdl-39003816

ABSTRACT

Vinyl-bearing triazine-functionalized covalent organic frameworks (COFs) have emerged as promising materials for electrocatalysis and energy storage. Guided by density functional theory calculations, a vinyl-enriched COF (VCOF-1) featuring a donor-acceptor structure was synthesized based on the Knoevenagel reaction. Moreover, the VCOF-1@Ru without pyrolysis was obtained through chemical coordination interactions between VCOF-1 and RuCl3, exhibiting enhanced electrocatalytic performance in the hydrogen evolution reaction when exposed to 0.5 M H2SO4. The results demonstrated that the protonation of VCOF-1@Ru enhanced the electrical conductivity and accelerated the generation of H2 on the catalytically active site Ru. Additionally, VCOF-1@CNT with a tubular structure was prepared by uniformly wrapping VCOF-1 onto carbon nanotubes (CNTs) and using it as a cathode for lithium-sulfur batteries by chemically and physically encapsulating S. The enhanced performance of VCOF-1@CNT was attributed to the effective suppression of lithium polysulfide migration. This suppression was achieved through several mechanisms, including the inverse vulcanization of vinyl on VCOF-1@CNT, the enhancement of material conductivity, and the interaction between N in the materials and Li ions. This study demonstrated a strategy for enhancing material performance by precisely modulating the COF structure at the molecular level.

19.
Sci Rep ; 14(1): 13261, 2024 Jun 10.
Article in English | MEDLINE | ID: mdl-38858469

ABSTRACT

Predicting and optimizing the mechanical performance of the helically wound nylon-reinforced rubber fertilizer hose (HWNR hose) is crucial for enhancing the performance of hose pumps. This study aims to enhance the service life of HWNR hoses and the efficiency of liquid fertilizer transport. First, a finite element simulation model and a mathematical model were established to analyze the influence of fiber layer arrangement on the maximum shear strain on the coaxial surface (MSS) and the reaction force on the extrusion roller (RF). For the first time, the Crested Porcupine Optimizer algorithm was used to improve the Generalized Regression Neural Network (CPO-GRNN) method to establish a surrogate model for predicting the mechanical properties of HWNR hoses, and it was compared with Response Surface Methodology (RSM). Results showed CPO-GRNN's superiority in handling complex nonlinear problems. Finally, the Non-dominated Sorting Genetic Algorithm II (NSGA-II) was employed for optimization design. Compared to the original HWNR hose with an MSS of 0.906 and an RF of 30,376N, the optimized design reduced the MSS by 7.99% and increased the RF by 2.46%, significantly enhancing their service life and liquid fertilizer transport capacity. However, further research on fatigue damage is needed.

20.
Sci Technol Adv Mater ; 25(1): 2362125, 2024.
Article in English | MEDLINE | ID: mdl-38882257

ABSTRACT

Polymeric materials can boost their performances by strategically incorporating inorganic substances. Heat dissipators are a representative class of such composite materials, where inorganic fillers and matrix polymers contribute to high thermal conductivity and strong adhesion, respectively, resulting in excellent heat dissipation performance. However, due to the complex interaction between fillers and polymers, even slight differences in structural parameters, e.g. dispersion/aggregation degree of fillers and crosslink density of polymers, may significantly impact material performance, complicating the quality management and guidelines for material developments. Therefore, we introduce pyrolysis mass spectra (MS) as material descriptors. On the basis of these spectra, we construct prediction models using a data-driven approach, specifically focusing on thermal conductivity and adhesion, which are key indicators for heat dissipating performance. Pyrolysis-MS observes thermally decomposable polymers, which occupy only 0.1 volume fraction of the heat dissipators; nevertheless, the physical states of non-decomposable inorganic fillers are implicitly reflected in the pyrolyzed fragment patterns of the matrix polymers. Consequently, pyrolysis-MS provides sufficient information to construct accurate models for predicting heat dissipation performance, simplifying quality management by substituting time-consuming performance evaluations with rapid pyrolysis-MS measurements. Furthermore, we elucidate that higher crosslinking density of the matrix polymers enhances thermal conductivity. This data-driven method promises to streamline the identification of key functional factors in complex composite materials.


Using pyrolysis-MS as a material descriptor allows for the prediction of composite materials' heat dissipation capabilities and the identification of key factors influencing these properties.

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