TY - JOUR A1 - Ren, K. A1 - Guo, Y. A1 - Huang, W. A1 - Wei, A. A1 - Wu, Dejian T1 - Explosion characteristics of coal dusts in O2/N2 ambience: A novel method to determine limiting oxygen concentration JF - Fuel N2 - The explosion characteristics of anthracite and bituminous coals in O2/N2 ambience were experimentally studied via a 20-L spherical explosion chamber with various ignition energies of 2, 5 and 10 kJ. A novel method based on combustion duration time was proposed for the first time, with an emphasis on the determination of the limiting oxygen concentration (LOC). The values of LOC determined by the alternative method were almost consistent with those obtained by using the standardized overpressure method, where the LOCs were above 21.6%, 19.8%, and 13.2% for anthracite coal and 11.4%, 9.6%, and 9.0% for bituminous coal when the ignition energy is 2, 5, and 10 kJ, respectively. But the newly proposed method was found to be much less affected by the ignition energy compared with the standardized overpressure method, taking combustion duration time as an explosion criterion thus had a higher efficiency and required fewer experiments. The results also showed that as oxygen concentration decreases from 21.6% to 14.4%, the maximum explosion pressure decreases from 0.4334 MPa to 0.1034 MPa for anthracite coal and from 0.5664 MPa to 0.3981 MPa for bituminous coal, respectively. Moreover, the effect of ignition energy varied with varying volatile matter content and ignition mechanism of coal dusts. The higher the volatile content, the less sensitive it is to the ignition energy. The newly proposed method will provide a reference for the new standard development, hazard analysis, explosion prevention and suppression by involving the use of inert gases of combustible powder industries. KW - Limiting oxygen concentration KW - Ignition energy KW - Coal dusts KW - Combustion duration time KW - Explosion criterion PY - 2022 DO - https://doi.org/10.1016/j.fuel.2022.124673 SN - 0016-2361 VL - 324, Part B SP - 1 EP - 11 PB - Elsevier Ltd. AN - OPUS4-55051 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Guo, Y. A1 - Ren, K. A1 - Wei, A. A1 - Tao, C. A1 - Huang, W. A1 - Zhao, Peng A1 - Wu, Dejian T1 - Iron dust explosion characteristics with small amount of nano-sized Fe2O3 and Fe3O4 particles JF - Fuel N2 - Iron powder, as one of the most abundant metal fuels that can be used as recyclable carriers of clean energy, is a promising alternative to fossil fuels in a future low-carbon economy. It may pose a potential explosion hazard during the process of processing, storage, transport, and reduction/oxidation (redox). The explosion characteristics of iron dust in air were undertaken via a 20 L spherical explosion chamber with an emphasis on minimum explosion concentration (MEC) of iron dust. The alternative method of combustion duration time (tc) was used to determine MEC and compared with the standardized over pressure method. Two kinds of nano-sized iron oxides (Fe2O3 and Fe3O4) were used as inertants to determine the inhibition effect of different oxidation products. The iron dust explosion products with various shapes and sizes were found to be able to grow up 4–6 times of the iron dust for the first time. Adding small amount of Fe2O3 or Fe3O4 could reduce the explosion severity and sensitivity of iron dust. The MEC data determined by both methods were comparable. The addition of 5 % oxide has obvious inhibition effect under 1500 g/m3 concentration. With the increase of oxide concentration to 10 %, the inerting effect increases, and the MEC of iron dust increases more than 3 times. The increase of dust concentration will weaken the inerting effect. When the concentration increases from 500 g/m3 to 3000 g/m3, the weakening effect of 10 % Fe2O3 on the explosion pressure decreases from 38.45 % to 2.24 %, and 10 % Fe3O4 decreases from 46.21 % to 10.63 %. Unlike coal, biomass or aluminum dusts, the iron dust explosion was found to have a unique secondary acceleration of pressure rise rate for the first time. These results provide a fundamental basis to mitigate the iron dust explosion via solid inerting method without adding extra elements. KW - Iron dust KW - Iron oxides KW - MEC KW - Combustion duration time KW - Explosion products KW - Pressure rise rate PY - 2022 DO - https://doi.org/10.1016/j.fuel.2022.124786 SN - 0016-2361 VL - 324, Part C SP - 1 EP - 13 PB - Elsevier Ltd. AN - OPUS4-55057 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhao, J. A1 - Hu, Y. A1 - wei Lin, S. A1 - Resch-Genger, Ute A1 - Zhang, R. A1 - Wen, J. A1 - Kong, X. A1 - Qin, A. A1 - Ou, J. T1 - Enhanced luminescence intensity of near-infraredsensitized sensitized upconversion nanoparticles via Ca²+ doping for a nitric oxide release platform JF - Royal Society of Chemistry N2 - Light-induced NO release based on exogenous NO donors has attracted substantial attention in clinical applications; the induction light source usually converts near-infrared light to blue or ultraviolet light. However, the low efficiency of near-infrared light-assisted chemical light energy conversion remains a challenge, especially for NaYF4:Yb3+/Tm3+ photoconverting near-infrared light to ultraviolet (UV) and blue light. In this paper, a luminescence-enhanced strategy is reported by doping Ca2+ into NaYF4:Yb3+/Tm3+ and coating it with NaGdF4 through a two-step solvothermal method. Then, UCNPs modified with methyl-b-cyclodextrin (M-b-CD) are loaded on a ruthenium nitrosyl complex [(3)Ru(NO)(Cl)] as nitric oxide release-molecules (NORMs). X-ray diffraction (XRD) and energy-dispersive X-ray spectroscopy (EDS) data demonstrated that Ca2+ was successfully doped into NaYF4:Yb3+/Tm3+ nanoparticles as the core, and a pure hexagonal phase, NaYF4, was obtained from the doping of Ca2+. TEM revealed that the crystallinity was significantly improved after Ca2+ doping, and the core–shell structure was successfully synthesized, with NaGdF4 directionally grown on the NaYF4:Ca/Yb/Tm core. Fluorescence tests showed that, especially in the ultraviolet and blue light excitation wavelength regions, the UC emission intensity of the Ca-doped NaYF4:Yb3+/Tm3+@NaGdF4 core–shell UCNPs increased by 302.95 times vs. NaYF4:Yb3+/Tm3+ UCNPs. Finally, the release of NO was tested by the Griess method. Under 980 nm irradiation, the cell viability distinctly decreased with increasing UCNPs@M-b-CD-NORMs concentration. This study Shows that NORM release of NO is triggered by enhanced up-converted UV and blue light, which can be used for the development of UV photo-sensitive drugs. KW - Nano KW - Nanomaterial KW - Upconversion nanoparticle KW - Lanthanide KW - Photoluminescence KW - Quantum yield KW - Photophysics KW - Lifetime KW - Sensor KW - Surface chemistry KW - Single particle KW - Brightness KW - NIR KW - PDT PY - 2020 DO - https://doi.org/10.1039/d0tb00088d VL - 8 IS - 30 SP - 6481 EP - 6489 PB - Journal of Materials Chemistry B AN - OPUS4-51262 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhou, X. A1 - Wei, Y. A1 - Kühbach, M. A1 - Zhao, H. A1 - Vogel, F. A1 - Darvishi Kamachali, Reza A1 - Thompson, G. B. A1 - Raabe, D. A1 - Gault, B. T1 - Revealing in-plane grain boundary composition features through machine learning from atom probe tomography data JF - Acta materialia N2 - Grain boundaries (GBs) are planar lattice defects that govern the properties of many types of polycrystalline materials. Hence, their structures have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the atomic length scale inside bulk material specimens. Atom probe tomography (APT) is a tool capable of accomplishing this task, with an ability to quantify chemical characteristics at near-atomic scale. Using APT data sets, we present here a machine-learning-based approach for the automated quantification of chemical features of GBs. We trained a convolutional neural network (CNN) using twenty thousand synthesized images of grain interiors, GBs, or triple junctions. Such a trained CNN automatically detects the locations of GBs from APT data. Those GBs are then subjected to compositional mapping and analysis, including revealing their in-plane chemical decoration patterns. We applied this approach to experimentally obtained APT data sets pertaining to three case studies, namely, Ni-P, Pt-Au, and Al-Zn-Mg-Cu alloys. In the first case, we extracted GB specific segregation features as a function of misorientation and coincidence site lattice character. Secondly, we revealed interfacial excesses and in-plane chemical features that could not have been found by standard compositional analyses. Lastly, we tracked the temporal evolution of chemical decoration from early-stage solute GB segregation in the dilute limit to interfacial phase separation, characterized by the evolution of complex composition patterns. This machine-learning-based approach provides quantitative, unbiased, and automated access to GB chemical analyses, serving as an enabling tool for new discoveries related to interface thermodynamics, kinetics, and the associated chemistry-structure-property relations. KW - Machine learning KW - Digitalization KW - Alloy microstructure PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-543049 DO - https://doi.org/10.1016/j.actamat.2022.117633 SN - 1359-6454 VL - 226 SP - 1 EP - 15 PB - Elsevier CY - Amsterdam AN - OPUS4-54304 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zhang, X. A1 - Zhang, J. A1 - Wang, H. A1 - Rogal, J: A1 - Li, H.-Y. A1 - Wei, S.-H. A1 - Hickel, Tilmann T1 - Defect-characterized phase transition kinetics JF - Applied physics reviews N2 - Phase transitions are a common phenomenon in condensed matter and act as a critical degree of freedom that can be employed to tailor the mechanical or electronic properties of materials. Understanding the fundamental mechanisms of the thermodynamics and kinetics of phase transitions is, thus, at the core of modern materials design. Conventionally, studies of phase transitions have, to a large extent, focused on pristine bulk phases. However, realistic materials exist in a complex form; their microstructures consist of different point and extended defects. The presence of defects impacts the thermodynamics and kinetics of phase transitions, but has been commonly ignored or treated separately. In recent years, with the significant advances in theoretical and experimental techniques, there has been an increasing research interest in modeling and characterizing how defects impact or even dictate phase transitions. The present review systematically discusses the recent progress in understanding the kinetics of defect-characterized phase transitions, derives the key mechanisms underlying these phase transitions, and envisions the remaining challenges and fruitful research directions. We hope that these discussions and insights will help to inspire future research and development in the field. KW - Kinetics KW - Atomistic models KW - Phase transitions KW - Defects PY - 2022 DO - https://doi.org/10.1063/5.0117234 SN - 1931-9401 VL - 9 IS - 4 SP - 1 EP - 42 PB - AIP CY - New York, NY AN - OPUS4-56507 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -