Extrusion-based fused deposition modeling (FDM) introduces inter-bead pores into dense materials, which results in part-to-part mechanical property variations, i.e., low mechanical reliability. In addition, the internal structure of FDMed materials can be made porous intentionally to tailor mechanical properties, introduce functionality, reduce material consumption, or decrease production time. Despite these potential benefits, the effects of porosity on the mechanical reliability of FDMed composites are still unclear. Accordingly, we investigated the stochastic fracture of 241 FDMed short-carbon-fiber-reinforced-ABS with porosity ranging from 13 to 53 vol.% under tensile load. Weibull analysis was performed to quantify the variations in mechanical properties. We observed an increase in Weibull modulus of fracture/tensile strength for porosity higher than ~40 vol.% and a decrease in Weibull modulus of fracture strain for an increase in porosity from 25 to 53 vol.%. Micromechanics-based 2D simulations indicated that the mechanical reliability of FDMed composites depends on variations in bead strength and elastic modulus of beads. The change in raster orientation from 45°/-45° to 0° more than doubled the Weibull modulus. We identified five different types of pores via high-resolution X-ray computed tomography. A 22% and 48% decrease in carbon fiber length due to extrusion was revealed for two different regions of the filament.
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http://dx.doi.org/10.1038/s41598-018-33863-4 | DOI Listing |
J Chem Theory Comput
January 2025
Department of Chemistry and Biochemistry, The University of Arizona, Tucson, Arizona 85721-0041, United States.
Accurately calculating the diradical character () of molecular systems remains a significant challenge due to the scarcity of experimental data and the inherent multireference nature of the electronic structure. In this study, various quantum mechanical approaches, including broken symmetry density functional theory (BS-DFT), spin-flip time-dependent density functional theory (SF-TDDFT), mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT), complete active space self-consistent field (CASSCF), complete active space second-order perturbation theory (CASPT2), and multiconfigurational pair-density functional theory (MCPDFT), are employed to compute the singlet-triplet energy gaps () and values in Thiele, Chichibabin, and Müller analogous diradicals. By systematically comparing the results from these computational methods, we identify optimally tuned long-range corrected functional CAM-B3LYP in the BS-DFT framework as a most efficient method for accurately and affordably predicting both and values.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
February 2025
Department of Construction Sciences, Lund University, Lund SE-22100, Sweden.
Preemptive identification of potential failure under loading of engineering structures is a critical challenge. Our study presents an innovative approach to design built-in prefailure indicators within multiscale structural designs with optimized load carrying capabilities utilizing the design freedom of topology optimization. The indicators are engineered to visibly signal load conditions approaching the global critical buckling load at predefined locations.
View Article and Find Full Text PDFPLoS One
January 2025
School of Medical Technology and Engineering, Henan University of Science and Technology, Luoyang, China.
The incidence of acute myeloid leukemia (AML) is increasing annually, and timely diagnostic and treatments can substantially improve patient survival rates. AML typing traditionally relies on manual microscopy for classifying and counting myeloid cells, which is time-consuming, laborious, and subjective. Therefore, developing a reliable automated model for myeloid cell classification is imperative.
View Article and Find Full Text PDFJ Mol Model
January 2025
College of Chemical Engineering, Fuzhou University, Fuzhou, 350116, People's Republic of China.
Context: The rotating arc plasma technique for the synthesis of nitrogen-doped graphene capitalizes on the distinctive attributes of plasma, presenting a straightforward, efficient, and catalyst-free strategy for the production of nitrogen-doped graphene. However, experimental outcomes generally fail to elucidate the atomic-level mechanism behind this process. Our research utilizes molecular dynamics simulations to explore theoretically the formation of radicals during the plasma-driven reaction between methane (CH₄) and nitrogen (N₂).
View Article and Find Full Text PDFHeliyon
January 2025
Division of Polymer Chemistry, Department of Chemistry, Atomic Energy Commission, P.O. Box: 6091, Damascus, Syrian Arab Republic.
The degree of sulfonation (DS) is a key property of sulfonated polymers, as it significantly influences their swelling behaviour, conductivity and mechanical properties. Accurately determining the DS is essential for optimizing these materials for various applications. In this work, the DS of sulfonated poly (ether ether ketone) (SPEEK) was evaluated using a combination of analytical techniques, including titration, back titration, Fourier Transform Infrared (FTIR), Ultra-Violet (UV) and proton nuclear magnetic resonance (H NMR) spectroscopies, Thermogravimetric analysis (TGA), Rutherford backscattering (RBS) and particle induced X-ray emission (PIXE) analysis.
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