Thermal transport simulations were performed to investigate the important factors affecting the thermal conductivity based on the structure of semi-crystalline polyetheretherketone (PEEK), and the addition of boron nitride (BN) sheets. The molecular-level structural analysis facilitated the prediction of the thermal conductivity of the optimal structure of PEEK reflecting the best parameter value of the length of amorphous chains, and the ratio of linkage conformations, such as loops, tails, and bridges. It was found that the long heat transfer paths of polymer chains were induced by the addition of BN sheets, which led to the improvement of the thermal conductivities of the PEEK/BN composites. In addition, the convergence of the thermal conductivities of the PEEK/BN composites in relation to BN sheet size was verified by the disconnection of the heat transfer path due to aggregation of the BN sheets.
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http://dx.doi.org/10.3390/polym15020450 | DOI Listing |
ACS Appl Mater Interfaces
January 2025
CAS Key Laboratory of Green Process and Engineering, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China.
Maintaining human body temperature in both high and low-temperature environments is fundamental to human survival, necessitating high-performance thermal insulation materials to prevent heat exchange with the external environment. Currently, most fibrous thermal insulation materials are characterized by large weight, suboptimal thermal insulation, and inferior mechanical and waterproof performance, thereby limiting their effectiveness in providing thermal protection for the human body. In this study, lightweight, waterproof, mechanically robust, and thermal insulating polyamide-imide (PAI) grooved micro/nanofibrous aerogels were efficiently and directly assembled by electrospinning.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Xi'an Jiaotong University, School of Microelectronics & State Key Laboratory for Mechanical Behavior of Materials, Xi'an 710049, China.
The bismuth monolayer has recently been experimentally identified as a novel platform for the investigation of two-dimensional single-element ferroelectric system. Here, we model the potential energy surface of a bismuth monolayer by employing a message-passing neural network and achieve an error smaller than 1.2 meV per atom.
View Article and Find Full Text PDFCarbon-carbon (C/C) composites are attractive materials for high-speed flights and terrestrial atmospheric reentry applications due to their insulating thermal properties, thermal resistance, and high strength-to-weight ratio. It is important to understand the evolving structure-property correlations in these materials during pyrolysis, but the extreme laboratory conditions required to produce C/C composites make it difficult to quantify the properties . This work presents an atomistic modeling methodology to pyrolyze a crosslinked phenolic resin network and track the evolving thermomechanical properties of the skeletal matrix during simulated pyrolysis.
View Article and Find Full Text PDFChem Soc Rev
January 2025
Department of Applied Physics, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong, P. R. China.
Establishing and regulating the ferroelectric polarization in ferroelectric nano-scale catalysts has been recognized as an emerging strategy to advance water splitting reactions, with the merits of improved surface charge density, high charge transfer rate, increased electronic conductivity, the creation of real active sites, and optimizing the chemisorption energy. As a result, engineering and tailoring the ferroelectric polarization induced internal electric field provides significant opportunities to improve the surface and electronic characteristics of catalysts, thereby enhancing the water splitting reaction kinetics. In this review, an interdisciplinary and comprehensive summary of recent advancements in the construction, characterization, engineering and regulation of the polarization in ferroelectric-based catalysts for water splitting is provided, by exploiting a variety of external stimuli.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Physical Chemistry, University of Cádiz, 11510, Puerto Real, Spain.
To reduce greenhouse emissions and producing electricity with the smallest environmental impact, developing solar power technology is one of the most important milestones to achieve. Thus, to improve the efficiency of the concentrated solar power (CSP) plants, with lower environmental impact, is of great interest. This work reports the development of nanofluids, a colloidal suspension of nanomaterials in a fluid, based on an environment-friendly base fluid for improving the performance of the heat transfer process in CSP plants.
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