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.     

Piezoelectric properties of PVDF-conjugated polymer nanofibers

This study presents the development and characterization of PVDF-conjugated polymer nanofiber-based systems. Five different conducting polymers (CPs) were synthesized successfully and used to create the nanofiber systems. The CPs used are polyaniline (PANI), polypyrrole (PPY), polyindole (PIN), polyanthranilic acid (PANA), and polycarbazole (PCZ). Nanofiber systems were produced utilizing the Forcespinning® technique. The nanofiber systems were developed by mechanical stretching. No electrical field or post-process poling was used in the nanofiber systems. The morphology, structure, electrochemical and piezoelectric performance was characterized. All of the nanofiber PVDF/CP systems displayed higher piezoelectric performance than the fine fiber PVDF systems. The PVDF/PPY nanofiber system displays the highest piezoelectric performance of 15.56 V. The piezoelectric performance of the PVDF/CP nanofiber systems favors potential for an attractive source of energy where highly flexible membranes could be used in power actuators, sensors and portable, and wireless devices to mention some.     

Performance evaluation of basalt fiber-reinforced geopolymer composites with various contents of nano CaCO3

High carbon footprint of cement production is the major drawback of plain cement concrete resulting in environmental pollution. Geopolymer composites paste can be effectively used as an alternative to Portland cement in the construction industry for a sustainable environment. The demand for high-performance composites and sustainable construction is increasing day by day. Therefore, the present experimental program has endeavored to investigate the mechanical performance of basalt fiber-reinforced fly ash-based geopolymer pastes with various contents of nano CaCO₃. The content of basalt fibers was fixed at 2% by weight for all specimens while the studied contents of nano CaCO₃ were 0%, 1%, 2%, and 3%, respectively. The compressive strength, compressive stress-strain response, flexural strength, bending stress-strain response, elastic modulus, toughness modulus, toughness indices, fracture toughness, impact strength, hardness, and microstructural analysis of all four geopolymer composite pastes with varying contents of nano CaCO₃ using scanning electron microscopy (SEM) were evaluated. The results revealed that the use of 3% nano CaCO₃ in basalt fiber-reinforced geopolymer paste presented the highest values of compressive strength and hardness while the use of 2% nano CaCO₃ showed the highest values of flexural strength, impact strength, and fracture toughness of composite paste. The SEM results indicated that the addition of nano CaCO₃ improved the microstructure and provided a denser geopolymer paste by refining the interfacial zones and accelerating the geopolymerization reaction.     

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.     

The effects of surface-modified graphene nanoplatelets on the sliding wear properties of basalt fibers-reinforced epoxy composites

Possessing unique designs and properties absent in conventional materials, nanocomposites have made a remarkable imprint in science and technology. This is particularly true regarding the polymer matrix composites when they are further reinforced with nanoparticles. In this study, the effects of different weight percentages (0, 0.1, 0.2, 0.3, 0.4, and 0.5) of surface-modified graphene nanoplatelets (GNPs) on the microhardness and wear properties of basalt fibers/epoxy composites were investigated. The GNPs were surface modified by silane, and the composites were made by the hand lay-up method. The wear tests were conducted under two different loads of 20 and 40 N. The best wear properties were achieved at 0.3 wt % GNPs as a result of the GNPs' self-lubrication property and the formation of a stable transfer/lubricating film at the pin and disk interface. Moreover, the friction coefficient was lower at the higher normal load of 40 N. The microscopic studies by FESEM and SEM showed that the presence of GNPs up to 0.3 wt % led to the stability of the transfer/lubricating film by enhancing the adhesion of the basalt fibers to the epoxy resin. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 47986.     

Design and characterization of PNVCL-based nanofibers and evaluation of their potential applications as scaffolds for surface drug delivery of hydrophobic drugs

In this work, nanofiber scaffolds for surface drug delivery applications were obtained by electrospinning poly(N-vinylcaprolactam) (PNVCL) and its blends with poly(ε-caprolactone) and poly(N-vinylcaprolactam)-b-poly(ε-caprolactone). The process parameters to obtain smooth and beadless PNVCL fibers were optimized. The average fibers diameter was less than 1 μm, and it was determined by scanning electron microscopy analyses. Their affinity toward water was evaluated by measuring the contact angle with water. The ketoprofen release behavior from the fibers was analyzed using independent and model-dependent approaches. The low values of the release exponent (n < 0.5) obtained for 20 and 42 °C, indicating a Fickian diffusion mechanism for all formulations. Dissolution efficiencies (DEs) revealed the effect of polymer composition, methodology used in the electrospinning process, and temperature on the release rate of ketoprofen. PNVCL/poly(N-vinylcaprolactam)-b-poly(ε-caprolactone)-based nanofibers showed greater ability to control the in vitro release of ketoprofen, in view of reduced kinetic constant and DE, making this material promising system for controlling release of hydrophobic drugs. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020 , 137, 48472.