Designing optical glasses by machine learning coupled with a genetic algorithm

Engineering new glass compositions have experienced a sturdy tendency to move forward from (educated) trial-and-error to data- and simulation-driven strategies. In this work, we developed a computer program that combines data-driven predictive models (in this case, neural networks) with a genetic algorithm to design glass compositions with desired combinations of properties. First, we induced predictive models for the glass transition temperature (T_g) using a dataset of 45,302 compositions with 39 different chemical elements, and for the refractive index (n_d) using a dataset of 41,225 compositions with 38 different chemical elements. Then, we searched for relevant glass compositions using a genetic algorithm informed by a design trend of glasses having high n_d (1.7 or more) and low T_g (500 °C or less). Two candidate compositions suggested by the combined algorithms were selected and produced in the laboratory. These compositions are significantly different from those in the datasets used to induce the predictive models, showing that the used method is indeed capable of exploration. Both glasses met the constraints of the work, which supports the proposed framework. Therefore, this new tool can be immediately used for accelerating the design of new glasses. These results are a stepping stone in the pathway of machine learning-guided design of novel glasses.     

Lithiation MXene Derivative Skeletons for Wide-Temperature Lithium Metal Anodes

Lithium (Li) metal, as an appealing candidate for the next-generation of high-energy-density batteries, is plagued by its safety issue mainly caused by uncontrolled dendrite growth and infinite volume expansion. Developing new materials that can improve the performance of Li-metal anode is one of the urgent tasks. Herein, a new MXene derivative containing pure rutile TiO₂ and N-doped carbon prepared by heat-treating MXene under a mixing gas, exhibiting high chemical activity in molten Li, is reported. The lithiation MXene derivative with a hybrid of LiTiO₂-Li₃N-C and Li offers outstanding electrochemical properties. The symmetrical cell assembling lithiation MXene derivative hybrid anode exhibits an ultra-long cycle lifespan of 2000 h with an overpotential of ≈30 mV at 1 mA cm⁻², which overwhelms Li-based anodes reported so far. Additionally, long-term operations of 34, 350, and 500 h at 10 mA cm⁻² can be achieved in symmetrical cells at temperatures of −10, 25, and 50 °C, respectively. Both experimental tests and density functional theory calculations confirm that the LiTiO₂-Li₃N-C skeleton serves as a promising host for Li infusion by alleviating volume variation. Simultaneously, the superlithiophilic interphase of Li₃N guides Li deposition along the LiTiO₂-Li₃N-C skeleton to avoid dendrite growth.     

某金矿尾矿提纯石英应用对比试验研究

针对某金矿，在回收金银的基础上，对金银浮选尾矿进行云母和长石浮选，以及提纯石英试验，最终获得SiO2品位99.91%的石英产品。提纯石英产品与比利时矽比科矿业有限公司石英产品进行对比试验，通过化学成分、粒度组成、熔制、粘度和热膨胀系数测试对比试验，得出金矿提纯石英达到甚至超过矽比科进口石英产品的各项技术指标。     

Nanocrystallization and optical properties of CsPbBr3−xIx perovskites in chalcogenide glasses

The confinement of CsPbX₃ (X = Cl, Br, and I) perovskite nanocrystals (NCs) in a stabilized inorganic glass matrix is a new strategy for improving their long-term stability and promoting their applications in the optoelectronic field. Here, in situ nanocrystallization strategy is developed to precipitate CsPbBr_3?xI_x NCs with arbitrary I/Br ratio among an elaborately designed GeS₂–Sb₂S₃-based chalcogenide glass matrix. Spherical CsPbBr_3?xI_x NCs are homogeneously distributed in the glass matrix after thermal treatment. The photoluminescence (PL) spectra show that the emission peaks of CsPbBr_3?xI_x NCs can be tuned from 570 nm to 722 nm with the replacement of Br by I. The fs transient absorption (TA) spectra reveal that there exists some structural defects in the NCs, leading to short PL decay life. This work would shed light on confining CsPbX₃ NCs into glassy matrices, facilitating their future applications in photoelectronic fields.     

Development of silica based organic slurries for stereolithographic printing process

In this study, silica based slurries for stereolithographic printing of glass structures are developed and characterized. Stereolithography has the potential to print complex structures with high resolution. Therefore, acrylate based photocurable slurries have been developed and their viscosities are examined as a function of the solid loading. A critical shear rate can be derived, which must not be exceeded during the printing process. Therefore, rheological characterizations provide important insights into the printing process and the ability to produce samples with precise structures. Other properties such as polymerization time and curability kinetic were investigated with time dependent attenuated total reflection infrared spectroscopy (ATR-IR). Afterwards, the slurries were printed on a commercial printer operating with visible light. For debinding the printed green bodies, the decomposition temperatures were derived from thermogravimetric analysis in order to obtain stable and transparent samples.     

Surveying of Na2O3–BaO–PbO–Nb2O5–SiO2–Al2O3 glass-ceramics system in terms of alpha,proton, neutron and gamma protection features by utilizing GEANT4 simulation codes

In this study, nuclear shielding qualities of glass-ceramics with chemical composition Na₂O₃–BaO–PbO–Nb₂O₅–SiO₂–Al₂O₃ containing different amount of BaO and PbO were investigated. The μ_ρ values were simulated using GEANT4 toolkit at 0.015–20 MeV wide energy range and the obtained results were verified by theoretical WinXCOM results. The variables such as μ_ρ, HVL, MFP, Z_eff, N_eff, EBF and EABF were computed to determine the gamma-ray shielding performances of studied glass ceramics. The results revealed that increase in PBO and BaO percentages in glass samples has caused to decrease the HVL, MFP, EBF and EABF values and increase μ_ρ, Z_eff values. It has been seen that N28 and S24 samples own superior protection ability against gamma radiation. In addition, the shielding capacity of these glass ceramics against charged and uncharged particles were predicted by determination of MSP and PR values for alpha, proton and ΣR values for neutrons. It has been concluded that PbO and BaO addition improve radiation shielding competences of glass ceramics. The data obtained from this study will be beneficial for designing glass ceramics shields for radiation protection enforcements.     

Control of the particle microstructure during the synthesis of bulk-polymerized transparent methacrylate-acrylonitrile-butadiene-styrene resin

A series of methacrylate-acrylonitrile-butadiene-styrene (MABS) resins was prepared using bulk polymerization. The polarity of the continuous phase and the compatibility of two phases were changed by adjusting the methyl methacrylate (MMA) content, choosing values that were close to styrene-butadiene rubber solubility value. The possibility of controlling the microstructure of the MABS resin by changing the polarity of the components and the compatibility of two phases was assessed. The dynamic mechanical analysis shows that the compatibility of two phases varies with the MMA content. The morphological analysis shows that increasing MMA contents results in a gradual decrease in the sub-inclusion structure with a network skeleton of rubber particles, and that all the particles become solid rubber when the MMA content reaches 75%. The sub-inclusion structure reappears but does not have a network skeleton when the MMA content is 90%. The impact strength and morphological analysis indicate that the solid rubber particles and the sub-inclusion structure with a network skeleton provide excellent toughness, while the sub-inclusion structure without a network skeleton does not. In contrast, the transmittance of the ABS resin first increased and then decreased with increasing MMA content.     

Mechanical damage characterization of glass fiber-reinforced polymer laminates by ultrasonic maps

A method for simultaneous measurement of the thickness and density for Glass Fiber-Reinforced Polymer (GFRP) laminate plates with ultrasonic waves in C-Scan mode is presented in the form of maps. The method uses three different signals in immersion pulse-echo C-Scan mode. The maps obtained based on the density show the heterogeneity of the material at high resolution at the pixel level (1 × 1 mm²) and therefore they represent an efficient tool to assess and evaluate the damage of the composite structures after manufacturing and after an applied mechanical loading.     

Neutral axis depth and moment redistribution in FRP and steel reinforced concrete continuous beams

The neutral axis depth is considered the best parameter for quantifying the moment redistribution in continuous concrete beams, as exemplified in various design codes worldwide. It is therefore important to well understand the variation of neutral axis depth against moment redistribution. This paper describes a theoretical investigation into the neutral axis depth and moment redistribution in concrete beams reinforced with fibre reinforced polymer (FRP) and steel bars. A finite element model has been developed. The model predictions are in favourable agreement with experimental results. Three types of reinforcement are considered, namely, glass fibre, carbon fibre and steel. Various levels of reinforcement ratio are used for a parametric evaluation. The results indicate that FRP reinforced concrete continuous beams exhibit significantly different response characteristics regarding the moment redistribution and variation of neutral axis depth from those of steel reinforced ones. In addition, it is found that the code recommendations are generally unsafe for calculating the permissible moment redistribution in FRP reinforced concrete beams, but the neglect of redistribution in such beams may be overconservative.