Effects of alkali metal ion on imprinting GRIN microstructure in GeS2-Ga2S3-MCl (M=Na,K, Cs) glasses for visible to mid-infrared microgratings

Gradient refractive index (GRIN) micro-optics present unique opportunities for control of the chromatic properties, new degrees of freedom for optical design as well as the potential for use in new optical system applications. GRIN microgratings were imprinted in GeS₂-Ga₂S₃-MCl (M = Na, K, Cs) chalcohalide glasses by microthermal poling, and the effects of the type and concentration of alkali cations on their performance were investigated. Two effective imprinting formation regions of the GRIN microstructure based on the poling saturation voltage (U_s) and glass composition are observed at fixed poling time and temperature. The U_s increases from 140 to 750 and 2600 V in accordance with the activation energy (E_a) of alkali ions (Na⁺ to K⁺ and Cs⁺) increasing from 45.15 to 58.62 and 92.58 kJ/mol for studied samples. The saturated numbers of diffraction order (N_s) of the gratings in these samples are 7, 9 and 6, respectively, the highest number being provided by the K⁺-containing sample. This is in accordance with imprinting-induced phase differences (0.14λ, 0.19λ and 0.09λ) measured in the fabricated samples containing Na⁺, K⁺ and Cs⁺ ions. Furthermore, the U_s of samples decreases from 1500 to 300 V with four concentrations of K⁺ from 10 to 30%, associated with their E_a of K⁺ decreasing from 69.62 to 53.46 kJ/mol, while N_s increases from 8 to 14, which is attributed to the increase of the phase difference in the GRIN structures. The controllable GRIN microstructures are realized by adjusting the type and concentration of alkali cations in chalcohalide glasses, which is expected to drive the design of broadband GRIN microgratings.     

Spark plasma sintering of UO2 nanopowders: Pressure,heating rate and current effects

We analysed with different methods the densification of UO₂ nanopowders in SPS under constant heating rate (CHR) and isothermal sintering conditions. The apparent activation energy of densification in SPS (75 kJ/mol with CHR method) is significantly smaller than in conventional sintering. It is shown that this is likely not an effect of the applied current. We also observed a threshold stress at 64 MPa for the transition from pressure-insensitive sintering (stress exponent n≈0) to pressure-assisted sintering, suggesting that the contribution of the capillary stresses in such nanopowders is comparable with the typical stress applied in SPS.     

Molecular design for thermally stable SiZrBOC structure from single source precursor with high ceramic yield

A new type of high-temperature-resistant SiZrBOC ceramics was prepared by sol-gel method using polymethyl-hydro siloxane (PMHS), boric acid (B(OH)₃), and n-propyl zirconate (Zr(OPr)₄) as raw materials. After high-temperature pyrolysis, the SiZrBOC precursor was transformed into a crystalline ceramic material with a yield of 89.5 wt%. Fourier infrared spectroscopy (FT-IR) and thermogravimetric analysis (TGA) were applied to characterize the polymer-ceramic conversion process and thermal behavior of ceramic precursors. According to the results, the addition of boron elements led to the formation of Si-O-B links in the system. X-ray diffraction (XRD) and transmission electron microscopy (TEM) were used to study the phase composition and microstructure of SiZrBOC ceramics. Finally, the oxidation test at 1200 °C revealed that SiZrBOC ceramics with a boron/zirconium molar ratio of 2.5:1 exhibited the best oxidation resistance at a weight gain of 0.4 wt% only.     

Kinetic Monte Carlo simulation of hydrogen production from photocatalytic water splitting in the presence of methanol by 1 wt% Au/TiO2

In this research, using the kinetic Monte Carlo simulation (KMC), the hydrogen production from a water-methanol mixture using Au/TiO₂ photocatalyst is investigated. A mechanism is proposed, and the rate constants of the reaction steps are specified. The reaction rate constants of different steps and the concentration of the active sites on the photocatalyst surface were determined. An excellent match between simulated and experimental data confirms the results. The electron-hole pair production, methanol adsorption on the photocatalyst surface, and electron-hole recombination steps are considered the most critical steps. To study the effects of independent variables (initial concentration of methanol, photocatalyst dosage, pH, and time of reaction) on the produced hydrogen, a combination of KMC simulation and design of experiment was employed. The concentration of photocatalysis has the highest and pH has the lowest effect on the hydrogen production. The optimal conditions for photocatalytic hydrogen production are presented.     

格点QCD基础求解器及其异构计算实现的性能优化

格点量子色动力学(格点QCD)是研究夸克、胶子等微观粒子间相互作用的重要理论和方法. 通过将时空离散化为四维结构网格, 并将量子色动力学的基本场量定义在网格上, 让研究人员可以使用数值模拟方法, 从第一性原理出发研究强子间相互作用和性质, 但这个过程中的计算量极大, 需要进行大规模并行计算. 格点QCD计算的核心基础为格点QCD求解器, 是程序运行主要的计算热点模块. 本文研究在国产异构计算平台下格点QCD求解器的实现与优化, 提出一套格点QCD求解器的设计实现, 实现了BiCGSTAB求解器, 显著降低了迭代次数; 通过对奇偶预处理技术, 降低了所求问题的计算规模; 针对国产异构加速卡的特点, 优化了Dslash模块的访存操作. 实验测试表明, 相比优化前的求解器获得了约30倍的加速比, 为国产异构超算下格点QCD软件性能优化提供了有益的参考价值.     

Facile synthesis of Ti3C2 MXene-modified Bi2.15WO6 nanosheets with enhanced reactivity for photocatalytic reduction of Cr(VI)

Through a facile hydrothermal method, we have successfully prepared Ti₃C₂/Bi_2.15WO₆ (TC/BWO) composite, and systematically investigated their reactivity for the photocatalytic reduction of Cr(VI) under visible light. X-ray diffraction and Raman analysis confirm the formation of heterostructure between Bi_2.15WO₆ and Ti₃C₂. The resultant 7TC/BWO composite exhibits enhanced photoactivity toward Cr(VI) reduction. After 120 min irradiation, the conversion of Cr(VI) reaches 92.5% with the quasi-first-order kinetic constant of k = 0.0145 min^?1, which is higher than that of pure BWO (30% and k = 0.0005 min^?1). The electrochemical and photoluminescent characterization confirm that the introduction of Ti₃C₂ is conducive to the separation of carriers, thus significantly improves the photocatalytic performance of TC/BWO. Furthermore, the radical capture experiments verify that the electrons are important for enhancing reduction of Cr(VI) to Cr(III). As a result, this research provides a comprehensive understanding of the reduction of Cr(VI) by TC/BWO composite under visible light.     

Influence of CO2 inleakage on the slight-alkalization of generator internal cooling water

The slight-alkalization of generator internal cooling water (GICW) is widely used to inhibit the corrosion of hollow copper conductor and thereby ensure the safe operation of the generator. CO₂ inleakage is increasingly identified as a potential security risk for GICW system. In this paper, the influence of CO₂ inleakage on the slight-alkalization of GICW was theoretically discussed. Based on the equilibriums of the CO₂-NaOH-H₂O system, CO₂ inleakage saturation was derived to quantify the amount of the dissolved CO₂ in GICW. This parameter can be directly calculated with the measured conductivity and the [Na⁺] of GICW. The influence of CO₂ inleakage on the slight-alkalization conditioning of GICW and the measurement of its water quality parameters were then analyzed. The more severe the inleakage, the narrower the water quality operation ranges of GICW, resulting in the more difficult the slight-alkalization conditioning of GICW. The temperature calibrations of the conductivity and the pH value of GICW show non-linear correlations with the amount of CO₂ inleakage and the NaOH dosage. This study provides insights into the influence of CO₂ inleakage on the slight-alkalization of GICW, which can serve as the theoretical basis for the actual slight-alkalization when CO₂ inleakage occurs.     

Influence of applied voltage and conductive material in DIET promotion for methane generation

The utilization of biological-, electrode- and conductive material-mediated direct interspecies electron transfer (DIET) between exoelectrogenic bacteria and methanogenic archaea for enhancing methane productivity is widely reported in the literature. However, two cardinal questions are still controversial, i.e., which applied voltage value would be more recommended to enhance methane generation? and how the DIET over IIET has the upper hand in enhancing methane productivity? Herein, the influence of different applied voltages to promote biological-, conductive- and electrode-mediated DIET was investigated in MEC-AD reactors with conductive material. Polarized bioelectrodes induced electrode-mediated DIET (eDIET) and biological DIET (bDIET), in addition to cDIET (conductive material-mediated DIET), improved the methane yield to 315.40 mL/g COD_r with an applied voltage of 0.9 V. Whereas further increase of applied voltage 1.2 V, lessened methane production efficiency due to high-voltage inhibition and adverse effect on DIET promotion. The anaerobic digestion coupled microbial electrolysis cells with optimal electric potential selectively promotes the DIET through polarized electrodes were confirmed through microbial analysis. As the contribution of DIET increased to 80%, the methane yield increased, and the substrate residue decreased, resulting in a significant improvement in methane production.     

Magnetic properties,phase evolution,hollow structure and biomedical application of hematite (α-Fe2O3) and QUAIPH

We investigate synthesis, phase evolution, hollow and porous structure and magnetic properties of quasi-amorphous intermediate phase (QUAIPH) and hematite (α-Fe₂O₃) nanostructure synthesized by annealing of akaganeite (β-FeOOH) nanorods. It is found that the annealing temperature determines the phase composition of the products, the crystal structure/size dictates the magnetic properties whereas the final nanorod morphology is determined by the starting material. Annealing of β-FeOOH at ～300 °C resulted in the formation of hollow QUAIPH nanorods. The synthesized material shows low-cytotoxicity, superparamagnetism and good transverse relaxivity, which is rarely reported for QUAIPH. The QUAIPH nanorods started to transform to porous hematite nanostructures at ～350 °C and phase transformation was completed at 600 °C. During the annealing, the crystal structure changed from monoclinic (akaganeite) to quasi-amorphous and rhombohedral (hematite). Unusually, the crystallite size first decreased (akaganeite → QUAIPH) and then increased (QUAIPH → hematite) during annealing whereas the nanorods retained particle shape. The magnetic properties of the samples changed from antiferromagnetic (akaganeite) to superparamagnetic with blocking temperature T_B = 84 K (QUAIPH) and finally to weak-ferromagnetic with the Morin transition at T_M = 244 K and high coercivity H_C = 1652 Oe (hematite). The low-cytotoxicity and MRI relaxivity (r₂ = 5.80 mM^?1 s^?1 (akaganeite), r₂ = 4.31 mM^?1 s^?1 (QUAIPH) and r₂ = 5.17 mM^?1 s^?1 (hematite)) reveal potential for biomedical applications.