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.     

Combinations of Piperine with Hydroxypropyl-β-Cyclodextrin as a Multifunctional System

Piperine is an alkaloid that has extensive pharmacological activity and impacts other active substances bioavailability due to inhibition of CYP450 enzymes, stimulation of amino acid transporters and P-glycoprotein inhibition. Low solubility and the associated low bioavailability of piperine limit its potential. The combination of piperine with 2-hydroxypropyl-β-cyclodextrin (HP-β-CD) causes a significant increase in its solubility and, consequently, an increase in permeability through gastrointestinal tract membranes and the blood–brain barrier. X-ray powder diffraction (XRPD), differential scanning calorimetry (DSC), Fourier-transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR) were used to characterize interactions between piperine and HP-β-CD. The observed physicochemical changes should be combined with the process of piperine and CD system formation. Importantly, with an increase in solubility and permeability of piperine as a result of interaction with CD, it was proven to maintain its biological activity concerning the antioxidant potential (2,2-diphenyl-1-picryl-hydrazyl-hydrate assay), inhibition of enzymes essential for the inflammatory process and for neurodegenerative changes (hyaluronidase, acetylcholinesterase, butyrylcholinesterase).     

Mass transfer in polycrystalline ytterbium monosilicate under oxygen potential gradients at high temperatures

Mass transfer in polycrystalline Yb₂SiO₅ wafers with precise composition control was evaluated and analyzed by oxygen permeation experiments at high temperatures using an oxygen tracer. Oxygen permeation proceeded due to mutual grain boundary diffusion of oxide ions and Yb ions without synergistic effects such as acceleration or suppression. The oxygen shielding properties of Yb₂SiO₅ were compared with those of the other line compounds such as Yb₂Si₂O₇ and Al₂O₃ based on the determined mass transfer parameters. It was found that the more preferentially an oxide ion diffuses in the grain boundary compared to the interior of the grain, the greater the effect of suppressing the movement of the oxide ion by applying an oxygen potential gradient becomes.     

我国水-能源-粮食耦合关系及影响因素

为缓解我国水、能源和粮食资源紧张问题，促进资源可持续利用，构建水-能源-粮食系统，利用耦合协调度模型对我国的30个省（自治区、直辖市）进行测算,并利用空间杜宾模型分析主要影响因素。结果表明：2003—2017年，我国能源、粮食评价[JP]指数高于水资源评价指数，系统综合评价指数逐年递增；大部分省份耦合协调度处于初级协调水平且呈现逐年上升的态势，个别省份耦合协调度濒临失调；耦合协调度空间自相关性较强，虽有明显波动，但是呈现逐年加强的态势；影响耦合协调度的主要因素有从业人口数、固定资产投资额、人均生产总值、人口总数、[JP]文盲人口占比、工业污染排放、城镇化。     

Structure,stability and optical parameters of cobalt zinc borate glasses

In this study, the impact of cobalt oxide (CoO) on the structure, stability, linear and nonlinear optical parameters of B₂O₃–Na₂O–ZnO glasses was scrutinized. A series of glass system (ZnCoNaB-glasses) was successfully prepared through the melt quenching approach. Optical absorbance, reflectance, transmittance and FTIR spectroscopy were performed for all ZnCoNaB-glasses. The FTIR results showed that the BO₄ units are enhanced while nonbridging oxygens are decreased with further CoO addition. Furthermore, ZnO exists as four-coordinated [ZnO₄] units and these units decreased with further doping of CoO. These structural variations produce a decreasing impact in Urbach energy and nonlinear refractive index, meanwhile enhance the glass stability. Further, the metallization criterion (M) values indicate that our glass samples can be used for a new generation of nonlinear optical glasses. The preceding results can predict that the investigated ZnCoNaB-glasses will be utilized in versatile applications; especially optical switching and computing.     

Ammonia gas sensing and magnetic permeability of enhanced surface area and high porosity lanthanum substituted Co–Zn nano ferrites

This work reports magnetic permeability and ammonia gas sensing characteristics of La³⁺ substituted Co–Zn nano ferrites possessing chemical formula Co_0.7Zn_0.3La_xFe_2-2xO₄ (x = 0–0.1) synthesized by a sol-gel route. Refinement of X-ray diffraction (XRD) patterns of the ferrite powders by the Rietveld technique has revealed the creation of single-phase spinel structure. The tenancy of constituent cations at tetrahedral/octahedral sites was obtained from the refinement of XRD. The crystallite sizes calculated from the W–H method vary from 20 to 24 nm. The scanning electron microscope (SEM) profiles of the ferrite samples were analyzed for the morphological details. The energy dispersive X-ray analysis (EDAX) patterns of the samples were obtained to test the elemental purity of the ferrites within their stoichiometry. The transmission electron microscope (TEM) image of the ferrite (x = 0.1) exhibits the spherical and oval shaped particles with a mean size of 20 nm. Fourier transform infra-red (FTIR) spectra were analyzed to confirm the superseding of La³⁺ cations at octahedral sites. The Brunauer-Emmett-Teller (BET) analysis of nitrogen adsorption-desorption isotherms of the ferrites was performed to investigate the porous structure and to determine the surface area of the nanocrystalline ferrites. The oxidation states of the constituent ions were confirmed by means of X-ray photoelectron spectroscopy (XPS). The complex permeability as a function of frequency was studied to explore the effects of structural parameters on the magnetic behaviour of the ferrites. Analysis of gas sensing properties of the ferrites have proved that the Co–Zn–La ferrite with controlled La composition can be utilized as an effective ammonia gas sensing material in commercial gas sensors.     

Enhanced electromagnetic microwave absorption of Fe/C/SiCN composite ceramics targeting in integrated structure and function

The Fe/C/SiCN composite ceramics were synthesized by polymer-derived method to obtain the integration of structure and functions. The electromagnetic waves (EMW) absorption properties at X and Ku bands were investigated. The addition of nano-sized Fe particles improved the magnetic loss and impedance matching, and the carbon nanotubes generated by the iron in-situ catalysis increased the internal relaxation polarization and interfacial polarization, which together improved the EMW absorption properties significantly. In particular, the Fe/C/SiCN-9 showed the optimum reflection loss (RL) of ?31.06 dB at 10.03 GHz with an effective absorption bandwidth (EAB, RL < ?10 dB) of 3.03 GHz at 2.51 mm, indicating the excellent EMW absorption properties of Fe/C/SiCN composite ceramics.     

Crowding as an Agronomic Factor Determining the Development of Plants and the Productivity of Linseed (Linum usitatissimum L.)

ABSTRACT

Nine sowing densities of linseed were compared in a two-year experiment. Self-regulation of the density of a linseed stand resulted in a differentiated branching of the plants. The number of capsules on a linseed shoot, as well as seeds in the capsule, and the number of seeds from the shoot were highly varied from year to year, and there is even a stronger differentiation in the weight of 1000 seeds. Linear relationships were noted between the mass of seeds from the linseed plant and the number of capsules. The yield of linseed was affected by both factors. An increasing sowing rate reduced the seed yield from the shoot and the plant. At lower seeding rates, the lateral shoots contributed in the seeds yield of the plant to a higher degree compared to the main ones.     

Improved error performance for generalised spatial modulation with enhanced spectral efficiency

The existing analytical average bit error rate (ABER) expression of conventional generalised spatial modulation (CGSM) does not agree well with the Monte Carlo simulation results in the low signal‐to‐noise ratio (SNR) region. Hence, the first contribution of this paper is to derive a new and easy way to evaluate analytical ABER expression that improves the validation of the simulation results at low SNRs. Secondly, a novel system termed CGSM with enhanced spectral efficiency (CGSM‐ESE) is presented. This system is realised by applying a rotation angle to one of the two active transmit antennas. As a result, the overall spectral efficiency is increased by 1 bit/s/Hz when compared with the equivalent CGSM system. In order to validate the simulation results of CGSM‐ESE, the third contribution is to derive an analytical ABER expression. Finally, to improve the ABER performance of CGSM‐ESE, three link adaptation algorithms are developed. By assuming full knowledge of the channel at the receiver, the proposed algorithms select a subset of channel gain vector (CGV) pairs based on the Euclidean distance between all CGV pairs, CGV splitting, CGV amplitudes, or a combination of these.     

Revisiting rock classification to estimate rock mass properties

This paper presents the results of ongoing research carried out by the author exploring methods to provide a more robust estimate of rock mass properties specifically for use in tunnel design. Data from various large-scale rock mass failures are introduced, including coal pillars. The damage-initiation,spalling-limit approach is compared to the coal pillar database. New comparisons of estimating the geological strength index(GSI) and relationships to estimate the Hoeke Brown failure criterion parameters, mb, s and a, are presented.