Taking into account X-ray diffraction, one of the well-known methods for calculating the stress-strain of crystals is Williamson-Hall (W-H). The W-H method has three models, namely (1) Uniform deformation model (UDM); (2) Uniform stress deformation model (USDM); and (3) Uniform deformation energy density model (UDEDM). The USDM and UDEDM models are directly related to the modulus of elasticity (E). Young's modulus is a key parameter in engineering design and materials development. Young's modulus is considered in USDM and UDEDM models, but in all previous studies, researchers used the average values of Young's modulus or they calculated Young's modulus only for a sharp peak of an XRD pattern or they extracted Young's modulus from the literature. Therefore, these values are not representative of all peaks derived from X-ray diffraction; as a result, these values are not estimated with high accuracy. Nevertheless, in the current study, the W-H method is used considering the all diffracted planes of the unit cell and super cells (2 × 2 × 2) of Hydroxyapatite (HA), and a new method with the high accuracy of the W-H method in the USDM model is presented to calculate stress (σ) and strain (ε). The accounting for the planar density of atoms is the novelty of this work. Furthermore, the ultrasonic pulse-echo test is performed for the validation of the novelty assumptions.
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http://dx.doi.org/10.3390/ma14112949 | DOI Listing |
Nano Lett
January 2025
Center for High Pressure Science and Technology Advanced Research, Beijing 100193, P. R. China.
Saturated sp-carbon nanothreads (CNTh) have garnered significant interest due to their predicted high Young's modulus and thermal conductivity. While the incorporation of heteroatoms into the central ring has been shown to influence the formation of CNTh and yield chemically homogeneous products, the impact of pendant groups on the polymerization process remains underexplored. In this study, we investigate the pressure-induced polymerization of phenol, revealing two phase transitions occurring below 0.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
Faculty of Engineering and Natural Sciences, Sabanci University, Istanbul, 34956, Türkiye.
Skin-like bioelectronics offer a transformative technological frontier, catering to continuous and real-time yet highly imperceptible and socially discreet digital healthcare. The key technological breakthrough enabling these innovations stems from advancements in novel material synthesis, with unparalleled possibilities such as conformability, miniature footprint, and elasticity. However, existing solutions still lack desirable properties like self-adhesivity, breathability, biodegradability, transparency, and fail to offer a streamlined and scalable fabrication process.
View Article and Find Full Text PDFNanomaterials (Basel)
January 2025
Department of Conservative Dentistry, University Hospital, Ludwig-Maximilians-University, Goethestr. 70, D-80336 Munich, Germany.
Objective: It is hypothesized that the way nano- and micro-hybrid polymer-based composites are structured and cured impacts the way they respond to aging.
Material And Methods: A polymer-ceramic interpenetrating network composite (Vita Enamic/VE), an industrially polymerized (Brillinat CriosST/BC), and an in situ light-cured composite with discrete inorganic fillers (Admira Fusion5/AF5) were selected. Specimens (308) were either cut from CAD/CAM blocks (VE/BC) or condensed and cured in white polyoxymethylene molds (AF5) and subjected to four different aging conditions ( = 22): (a) 24 h storage in distilled water at 37 °C; (b) 24 h storage in distilled water at 37 °C followed by thermal cycling for 10,000 cycles 5/55 °C (TC); (c) TC followed by storage in a 75% ethanol-water solution; and (d) TC followed by a 3-week demineralization/remineralization cycling.
Nanomaterials (Basel)
December 2024
Institute of Manufacturing Engineering, Huaqiao University, Xiamen 361021, China.
HOP-graphene is a graphene structural derivative consisting of 5-, 6-, and 8-membered carbon rings with distinctive electrical properties. This paper presents a systematic investigation of the effects of varying sizes, strain rates, temperatures, and defects on the mechanical properties of HOP-graphene, utilizing molecular dynamics simulations. The results revealed that Young's modulus of HOP-graphene in the armchair direction is 21.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
East China Normal University, Dept. of Chemistry, Dongchuan Road 500, 200062, Shanghai, CHINA.
Monitoring dynamic neurochemical signals in the brain of free-moving animals remains great challenging in biocompatibility and direct implantation capability of current electrodes. Here we created a self-supporting polymer-based flexible microelectrode (rGPF) with sufficient bending stiffness for direct brain implantation without extra devices, but demonstrating low Young's modulus with remarkable biocompatibility and minimal position shifts. Meanwhile, screening by density functional theory (DFT) calculation, we designed and synthesized specific ligands targeting Mg2+ and Ca2+, and constructed Mg-E and Ca-E sensors with high selectivity, good reversibility, and fast response time, successfully monitoring Mg2+ and Ca2+ in vivo up to 90 days.
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