Heterofullerene C48B12-impregnated MOF-5 and IRMOF-10 for hydrogen storage: A combined DFT and GCMC simulations study

The H₂ storage properties of isoreticular metal-organic framework materials (IRMOFs), MOF-5 and IRMOF-10, impregnated with different numbers and types of heterogeneous C₄₈B₁₂ molecules were investigated using density functional theory and grand canonical Monte Carlo (GCMC) calculations. The excess hydrogen adsorption isotherms of IRMOFs at 77 K within 20 bar indicate that suitable number and type of C₄₈B₁₂ molecules play a crucial role in improving the H₂ storage properties of IRMOFs. Among the studied pure and nC₄₈B₁₂ (n = 1, 2, 4, 8) in Ci symmetry impregnating into MOF-5, at 77 K under 6 bar, MOF-5-4C₄₈B₁₂ with a 3.5 wt% and 29.9 g/L hydrogen storage density, and at 77 K under 12 bar, the pure MOF-5 with a 4.9 wt% and 31.0 g/L hydrogen storage density has the best hydrogen storage properties. Whereas, among the studied pure and nC₄₈B₁₂ (n = 1, 2, 4, 8) in S6 symmetry impregnating into IRMOF-10, IRMOF-10-8C₄₈B₁₂ always shows the best hydrogen storage properties among the pure and C₄₈B₁₂-impregnated IRMOF-10 at 77 K within 20 bar. IRMOF-10-8C₄₈B₁₂ has a 6.0 wt% and 34.6 g/L hydrogen storage density at 77 K under 6 bar, and has a 7.1 wt% and 41.4 g/L hydrogen storage density at 77 K under 12 bar. The confinement effect of IRMOFs on C₄₈B₁₂ molecules, and steric hindrance effect of C₄₈B₁₂ molecules on IRMOFs mainly affects the H₂ uptake capacity by comparing the absolute H₂ molecules in individual IRMOFs units, C₄₈B₁₂ molecules, and IRMOFs-nC₄₈B₁₂ compounds. The absolute hydrogen adsorption profiles show that eight C₄₈B₁₂ molecules impregnating into MOF-5 can exert obvious steric effects for H₂ adsorption. The saturated gravimetric and volumetric H₂ densities of IRMOF-10-8C₄₈B₁₂ higher than those of MOF-5-8C₄₈B₁₂ due to with larger free volume.     

A high-throughput chaotic advection microreactor for preparation of uniform and aggregated barium sulfate nanoparticles

A high-throughput (105.5 g/h) passive four-stage asymmetric oscillating feedback microreactor using chaotic mixing mechanism was developed to prepare aggregated Barium sulfate (BaSO₄) particles of high primary nanoparticle size uniformity. Three-dimensional unsteady simulations showed that chaotic mixing could be induced by three unique secondary flows (i.e., vortex, recirculation, and oscillation), and the fluid oscillation mechanism was examined in detail. Simulations and Villermaux–Dushman experiments indicate that almost complete mixing down to molecular level can be achieved and the prepared BaSO₄ nanoparticles were with narrow primary particle size distribution (PSD) having geometric standard deviation, σ_g, less than 1.43 when the total volumetric flow rate Q_total was larger than 10 ml/min. By selecting Q_total and reactant concentrations, average primary particle size can be controlled from 23 to 109 nm as determined by microscopy. An average size of 26 nm with narrow primary PSD (σ_g = 1.22) could be achieved at Q_total of 160 ml/min.     

塔里木盆地塔西南坳陷柯东构造带甫沙4井原油来源及充注过程

甫沙4井位于塔里木盆地塔西南坳陷昆仑山前冲断带的柯东构造带上，北部和东部分别发育有柯克亚和柯东1井油气田。为研究甫沙4井原油来源与充注过程，对原油样品和连续抽提后的含油砂样各组分（游离态、束缚态、包裹体）进行GC、GC?MS和 GC?IRMS分析，与柯克亚凝析油气田油样进行油—油对比。结果表明：甫沙4井晚期充注原油组分具有C_29?32重排藿烷、重排甾烷和Ts相对含量高，C_27?29甾烷ααα 20R分布呈反“L”型，以及正构烷烃单体碳同位素值较低等特征，与柯克亚凝析油气田来源于二叠系普司格组（P_2?3p）烃源岩的主体原油（I类）地球化学特征一致。而早期充注的原油组分具有重排藿烷、重排甾烷和Ts相对含量较低，C_27?29甾烷ααα 20R分布呈“V”型，以及正构烷烃单体碳同位素值较高等特征，与柯克亚凝析油气田来源于中—下侏罗统湖相泥岩的II类原油地球化学特征一致。甫沙4井经历3个阶段成藏过程：①在上新世，二叠系烃源岩于生油晚期阶段生成的I类原油运移至柯克亚构造带或柯东构造带深部形成油藏；②在更新世早期，侏罗系烃源岩于生油早—中期生成的II类原油运移至甫沙4井白垩系储层；③在第四纪，强烈的构造作用使深部I类原油沿断裂调整进入甫沙4井白垩系储层。最终造成甫沙4井白垩系储层II类原油先充注，I类原油后充注的特殊现象。     

5G核心网业务模型的智能化预测研究

摘 要：核心网业务模型的建立是5G网络容量规划和网络建设的基础，通过现有方法得到的理论业务模型是静态不可变的且与实际网络存在偏离。为了克服现有5G核心网业务模型与现网模型适配性较差以及规划设备无法满足用户实际业务需求的问题，提出了一种长短期记忆（long short-term memory，LSTM）网络与卷积LSTM （convolution LSTM，ConvLSTM）网络双通道融合的 5G 核心网业务模型预测方法。该方法基于人工智能（artificial intelligence，AI）技术以实现高质量的核心网业务模型的智能预测，形成数据反馈闭环，实现网络自优化调整，助力网络智能化建设。     

基于Massive MIMO及频谱叠加的5G SA网络上行优化方法

大规模多输入多输出(Multiple-Input Multiple-Output, MIMO)可以有效提升5G SA网络的上行链路数据传输速率以及可靠性。针对5G SA网络上行链路速率和覆盖不均衡的情况,提出了基于大规模MIMO的分组算法,将发送信号矢量进行分组,组内采用最大似然检测,组外采用基于正交三角分解(QR分解)的干扰消除检测,并且结合5G频谱的叠加策略,在降低算法复杂度的同时,有效提升网络覆盖和速率。通过5G SA现网实测,通过MIMO降低分组数量能够提升分组检测性能,结合上行低频段频谱叠加策略能够有效提升5G SA网络上行覆盖30%,提升5G SA网络上行平均速率40%~80%,特别是弱覆盖边缘的网络速率,最高可达600%。     

High Q×f values of Zn-Ni co-modified LiMg0.9Zn0.1-xNixPO4 microwave dielectric ceramics for 5G/6G LTCC modules

In this work, Zn-Ni co-modified LiMg_0.9Zn_0.1-xNi_xPO₄ (x = 0–0.1) microwave dielectric ceramics were fabricated using a solid state synthesis route. Rietveld refinement of the XRD data revealed that all ceramic samples have formed a single phase with olivine structure. SEM images showed that the samples have a dense microstructure, that agrees with the measured relative density of 97.73 %. Based on the complex chemical bond theory, Raman and infrared reflectance spectra, we postulate that ε_r is mainly affected by the ionic polarizability, lattice and bond energy, while P-O bond plays a decisive role in Q×f and τ_f value. Optimum properties of Q×f ~ 153,500 GHz, ε_r ~ 7.13 and τ_f ~ ?59 ppm/°C were achieved for the composition LiMg_0.9Zn_0.06Ni_0.04PO₄ sintered at 875 ℃ for 2 h. This set of properties makes these ceramics an excellent candidate for LTCC, wave-guide filters and antennas for 5 G/6 G communication applications.     

使能未来工厂的5G能力综述

5G系统将移动通信服务从移动电话、移动宽带和大规模机器通信扩展到新的应用领域，即所谓对通信服务有特殊要求的垂直领域。对使能未来工厂的5G能力进行了全面的分析总结，包括弹性网络架构、灵活频谱、超可靠低时延通信、时间敏感网络、安全和定位，而弹性网络架构又包括对网络切片、非公共网络、5G局域网和边缘计算的支持。希望从广度到深度，对相关的理论及技术应用做透彻、全面的梳理，对其挑战做清晰的总结，从而为相关研究和工程技术人员提供借鉴。     

Comparative study of embrittlement of quenched and tempered steels in hydrogen environments

The study of steels which guarantee safety and reliability throughout their service life in hydrogen-rich environments has increased considerably in recent years. Their mechanical behavior in terms of hydrogen embrittlement is of utmost importance. This work aims to assess the effects of hydrogen on the tensile properties of quenched and tempered 42CrMo4 steels. Tensile tests were performed on smooth and notched specimens under different conditions: pre-charged in high pressure hydrogen gas, electrochemically pre-charged, and in-situ hydrogen charged in an acid aqueous medium. The influence of the charging methodology on the corresponding embrittlement indexes was assessed. The role of other test variables, such as the applied current density, the electrolyte composition, and the displacement rate was also studied. An important reduction of the strength was detected when notched specimens were subjected to in-situ charging. When the same tests were performed on smooth tensile specimens, the deformation results were reduced. This behavior is related to significant changes in the operative failure micromechanisms, from ductile (microvoids coalescence) in absence of hydrogen or under low hydrogen contents, to brittle (decohesion of martensite lath interfaces) under the most stringent conditions.     

基于5G时长驻留的分析及优化提升方法

随着中国移动5G网络的逐步发展，目前已实现城区的5G网络连片覆盖，全网5G用户大规模增长。本文通过对经分数据用户产生的话单，结合用户使用的网络类型，利用成熟的经分平台，实现直接针对用户使用的网络、流量、时长等方面的分析，直观的体现了用户在5G网络的驻留时长占比以及5G网络的流量占比，为网络优化工作提供了重要分析依据。