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.     

Trypsiligase-Catalyzed Labeling of Proteins on Living Cells

Fluorescent fusion proteins are powerful tools for studying biological processes in living cells, but universal application is limited due to the voluminous size of those tags, which might have an impact on the folding, localization or even the biological function of the target protein. The designed biocatalyst trypsiligase enables site-directed linkage of small-sized fluorescence dyes on the N terminus of integral target proteins located in the outer membrane of living cells through a stable native peptide bond. The function of the approach was tested by using the examples of covalent derivatization of the transmembrane proteins CD147 as well as the EGF receptor, both presented on human HeLa cells. Specific trypsiligase recognition of the site of linkage was mediated by the dipeptide sequence Arg-His added to the proteins’ native N termini, pointing outside the cell membrane. The labeling procedure takes only about 5 minutes, as demonstrated for couplings of the fluorescence dye tetramethyl rhodamine and the affinity label biotin as well.     

Fabrication and joining mechanism of Nano-Cu/Si3N4 ceramic substrates

A novel method for fabricating a nano-Cu/Si₃N₄ ceramic substrate is proposed. The nano-Cu/Si₃N₄ ceramic substrate is first fabricated using spark plasma sintering (SPS) with the addition of nanoscale multilayer films (Ti/TiN/Ti/TiN/Ti) as transition layers. The microstructures of the nano-Cu metal layer and the interface between Cu and Si₃N₄ are investigated. The results show that a higher SPS temperature increases the grain size of the nano-Cu metal layer and affects the hardness. The microstructure of the transition layer evolves significantly after SPS. Ti in the transition layer can react with Si₃N₄ and with nano-Cu to form interfacial reaction layers of TiN and Ti–Cu, respectively; these ensure stronger bonding between nano-Cu and Si₃N₄. Higher SPS temperatures improve the diffusion ability of Ti and Cu, inducing the formation of Ti₃Cu₃O compounds in the nano-Cu metal layer and Ti₂Cu in the transition layer. This study provides an important strategy for designing and constructing a new type of ceramic substrate.     

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.     

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.