Theoretical estimation of dielectric loss of oxide glasses using nonequilibrium molecular dynamics simulations

To theoretically explore amorphous materials with a sufficiently low dielectric loss, which are essential for next-generation communication devices, the applicability of a nonequilibrium molecular dynamics simulation employing an external alternating electric field was examined using alkaline silicate glass models. In this method, the dielectric loss is directly evaluated as the phase shift of the dipole moment from the applied electric field. This method enabled us to evaluate the dielectric loss in a wide frequency range from 1 GHz to 10 THz. It was observed that the dielectric loss reaches its maximum at a few THz. The simulation method was found to qualitatively reproduce the effects of alkaline content and alkaline type on the dielectric loss. Furthermore, it reasonably reproduced the effect of mixed alkalines on the dielectric loss, which was observed in our experiments on sodium and/or potassium silicate glasses. Alkaline mixing was thus found to reduce the dielectric loss.     

Phase and microstructure evolution of Sc2O3–CeO2 –ZrO2ceramics in Na2SO4 + V2O5 molten salts

In this study, the destabilization resistance of Sc₂O₃ and CeO₂ co-stabilized ZrO₂ (SCZ) ceramics was tested in Na₂SO₄ + V₂O₅ molten salts at 750°C–1100 °C. The phase structure and microstructure evolution of the samples during the hot corrosion testing were analyzed with X-ray diffraction (XRD), Raman spectra, scanning electron microscopy (SEM), energy dispersive X-ray spectrum (EDS), and X-ray photoelectron spectroscopy (XPS). Results showed that the destabilization of SCZ ceramics at 750 °C was the result of the chemical reaction with V₂O₅ to produce m-ZrO₂ and CeVO₄, and little ScVO₄ was detected in the Sc₂O₃-rich SCZ ceramics. The primary corrosion products at 900 °C and 1100 °C were CeO₂ and m-ZrO₂ due to the mineralization effect. The Sc₂O₃-rich SCZ ceramics exhibited excellent degradation resistance and phase stability owing to the enhanced bond strength and the decreased size misfit between Zr⁴⁺ and Sc³⁺. The destabilization mechanism of SCZ ceramic under hot corrosion was also discussed.     

Spatiotemporal Magnetocaloric Microenvironment for Guiding the Fate of Biodegradable Polymer Implants

The degradation behavior of implants is significantly important for bone repair. However, it is still unprocurable to spatiotemporally regulate the degradation of the implants to match bone ingrowth. In this paper, a magneto-controlled biodegradation model is established to explore the degradation behavior of magnetic scaffolds in a magnetothermal microenvironment generated by an alternating magnetic field (AMF). The results demonstrate that the scaffolds can be heated by magnetic nanoparticles (NPs) under AMF, which dramatically accelerated scaffold degradation. Especially, magnetic NPs modified by oleic acid with a better interface compatibility exhibit a greater heating efficiency to further facilitate the degradation. Furthermore, the molecular dynamics simulations reveal that the enhanced motion correlation between magnetic NPs and polymer matrix can accelerate the energy transfer. As a proof-of-concept, the feasibility of magneto-controlled degradation for implants is demonstrated, and an optimizing strategy for better heating efficiency of nanomaterials is provided, which may have great instructive significance for clinical medicine.     

爆破工程费用计算方法探讨

爆破工程具有周期短、自成完整体系、技术管理严格的特点,但在费用管理上需进一步规范与整顿。本文阐述了工程费用的构成、调整及爆破工程费用的计算方法。     

Dual effect synergistically triggered Ce:(Y,Tb)3(Al,Mn)5O12 transparent ceramics enabling a high color-rendering index and excellent thermal stability for white LEDs

Ce:Y₃Al₅O₁₂ transparent ceramics (TCs) with appropriate emission light proportion and high thermal stability are significant to construct white light emitting diode devices with excellent chromaticity parameters. In this work, strategies of controlling crystal-field splitting around Ce³⁺ ion and doping orange-red emitting ion, were adopted to fabricate Ce:(Y,Tb)₃(Al,Mn)₅O₁₂ TCs via vacuum sintering technique. Notably, 85.4 % of the room-temperature luminescence intensity of the TC was retained at 150 °C, and the color rendering index was as high as 79.8. Furthermore, a 12 nm red shift and a 16.2 % increase of full width at half maximum were achieved owing to the synergistic effects of Tb³⁺ and Mn²⁺ ions. By combining TCs with a 460 nm blue chip, a warm white light with a low correlated color temperature of 4155 K was acquired. Meanwhile, the action mechanism of Tb³⁺ ion and the energy transfer between Ce³⁺ and Mn²⁺ ions were verified in prepared TCs.     

下扬子地区下志留统风暴沉积特征及风暴作用对泥页岩品质的影响

近年来在下扬子地区页岩气地质调查井所获取的地层岩心资料，揭示该地区下志留统风暴沉积较为发育。基于精细的岩心观察描述，详细分析了下扬子地区下志留统高家边组下段中上部风暴沉积的特征，并阐明了风暴作用对泥页岩的影响。研究表明：研究区风暴岩岩性偏细，以粉砂岩为主，石英含量较高，结构成熟度较低，具2种不同的粒度概率曲线；主要发育底部冲刷面、块状层理、平行层理、丘状交错层理、波纹交错层理、准同生变形构造等沉积构造；垂向上主要识别出4种风暴沉积序列，均具有从底到顶粒度变细的沉积特征，不同的沉积序列与风暴流能量的强弱有关。下扬子地区早志留世频繁的风暴活动与研究区的古地理背景和古气候条件具有内在联系。特大型风暴对浅海陆棚深水区的细粒泥质沉积物特征产生重要影响，包括降低有机质含量、减少单层厚度、破坏垂向连续性、改变原始沉积构造和侧向稳定性等，总体上降低了泥页岩的品质。因此，研究认为在页岩气的勘探和评价过程中应重视风暴因素对陆棚深水区原始泥质沉积物的影响。     

Sputtered Ir–Ru based catalysts for oxygen evolution reaction: Study of iridium effect on stability

Magnetron sputtered low-loading iridium-ruthenium thin films are investigated as catalysts for the Oxygen Evolution Reaction at the anode of the Proton Exchange Membrane Water Electrolyzer. Electrochemical performance of 50 nm thin catalysts (Ir pure, Ir–Ru 1:1, Ir–Ru 1:3, Ru pure) is tested in a Rotating Disk Electrode. Corresponding Tafel slopes are measured before and after the CV-based procedure to compare the activity and stability of prepared compounds. Calculated activities prior to the procedure confirm higher activity of ruthenium-containing catalysts (Ru pure > Ir–Ru 1:3 > Ir–Ru 1:1 > Ir pure). However, after the procedure a higher activity and less degradation of Ir–Ru 1:3 is observed, compared to Ir–Ru 1:1, i.e. the sample with a higher amount of unstable ruthenium performs better. This contradicts the expected behavior of the catalyst. The comprehensive chemical and structural analysis unravels that the stability of Ir–Ru 1:3 sample is connected to RuO₂ chemical state and hcp structure. Obtained results are confirmed by measuring current densities in a single cell.     

Enhanced photodegradation of Rhodamine B under visible light by N-K2Ti4O9/MIL-101 composite

N-K₂Ti₄O₉/MIL-101 composites were successfully synthesized by a facile hydrothermal method, and were characterized by powder X-ray diffraction, UV–vis diffuse reflectance spectroscopy, the valence band X-ray photoelectron spectroscopy, field emission transmission electron microscopy, photoluminescence emission spectra, N₂ adsorption–desorption and thermogravimetric analysis. Photocatalytic activities of N-K₂Ti₄O₉, MIL-101 and the composites were investigated by the degradation of Rhodamine B (RhB) under visible light irradiation. The results show that the composites exhibit higher photocatalytic activity as compared with the pure materials. The synergistically enhanced photocatalytic activity of the composites is due to big adsorption capacity of MIL-101 and high separation efficiency of photogenerated electron-hole pairs through interfaces between N-K₂Ti₄O₉ and MIL-101.     

A new perspective of co-doping and Nd segregation effect on proton stability and transportation in Y and Nd co-doped BaCeO3

Bulk and surface properties of proton stability and transportation in Y and Nd co-doped BaCeO₃ (BCYN), especially the effect of Nd segregation, were investigated by first-principles calculations. Since the structure of doped BaCeO₃ at the operating temperature of proton-conducting has been unclear for a long time, we have summarized the latest experimental results and calculated the structure of the asymmetric BCYN for the first time. The results show that compared with Y, Nd doping promotes oxygen vacancy formation, however reduces proton stability. Our calculation can also provide a possible explanation for the formation of space charge layer at the grain boundary of doped BaCeO₃ in experiment. Unlike the stable Y in BCYN, Nd is calculated to be easily segregated, which can facilitate both proton hydration and proton transportation near the surface. Moreover, Nd segregation at the grain boundary is predicted to be beneficial for proton transportation between grains.