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High-throughput screening and evaluation of double-linker metal–organic frameworks for CO_(2)/H_(2)adsorption and separation

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Chinese Physics B 2025年第2期34卷 408-417页

作者： Ji-Long Huang Xiu-Ying Liu Hao Chen Xiao-dong Li Jing-Xin Yu School of Physics Henan University of TechnologyZhengzhou 450001China R&D Center for Advanced Energy Materials Henan University of TechnologyZhengzhou 450001China

The capture of CO_(2)from CO_(2)/H_(2)gas mixtures in syngas is a crucial issue for hydrogen production from steam methane reforming in industry,as the presence of CO_(2)directly affects the purity of H_(2).A combination of a high-throughput screening method and grand canonical Monte Carlo simulation was utilized to evaluate and screen 1725 metal–organic frameworks(MOFs)in detail as a means of determining their adsorption performance for CO_(2)/H_(2)gas *** adsorption and separation performance of double-linker MOFs was comprehensively evaluated using eight evaluation indicators,namely,the largest cavity diameter,accessible surface area,pore occupied accessible volume,porosity,adsorption selectivity,working capacity,adsorbent performance score and percent *** optimal performance frameworks were screened to further study their single-component adsorption and binary competitive adsorption of CO_(2)/H_(2)*** CO_(2)adsorption selectivity at different CO_(2)/H_(2)feed ratios was also evaluated,which indicated their excellent adsorption and separation *** microscopic adsorption mechanisms for CO_(2)and H_(2)at the molecular level were investigated by analyzing the radial distribution function and density *** study may provide directional guidance and reference for subsequent experiments on the adsorption and separation of CO_(2)/H_(2).

关键词： metal–organic framework adsorption separation high-throughput screening grand canonical Monte Carlo simulation

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Integrating molecular simulations with multilayer perceptron neural networks to predict the CH4/H2 adsorption and separation of MTV-MOFs

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International Journal of Hydrogen Energy 2025年 132卷 155-165页

作者： Xie, Yan-Yu Li, Xiao-dong Liu, Xiu-Ying Yu, Jing-Xin Wang, Jun-Fei R&D Center for Advanced Energy Materials School of Physics Henan University of Technology Zhengzhou450001 China

The secure, efficient, and cost-effective storage and separation of methane and hydrogen are crucial for their large-scale industrial applications. This work evaluates the performance of 10,995 multivariate metal-organic frameworks (MTV-MOFs) as CH4/H2 adsorption and separation media through molecular simulations and neural network modeling. Firstly, the structural parameters and CH4/H2 adsorption and separation properties of MTV-MOFs were obtained by molecular simulation, and the relationships between them were studied. The results reveal that the key structural descriptors and their optimal ranges are accessible surface area (4000–5000 m2/g), largest cavity diameter (11–14 Å), pore-limiting diameter (10–12 Å), and porosity (∼0.8). A multilayer perceptron neural networks (MLP) model was subsequently constructed to predict the CH4/H2 adsorption and separation properties based on the results of molecular simulations. The results of MLP model are not only comparable to those of traditional grand canonical Monte Carlo (GCMC) simulation, but also exhibit a significant enhancement in screening efficiency. This demonstrates the excellent generalization ability and robustness of the designed MLP model. We hope that this study will provide some theoretical references for the efficient screening of MTV-MOFs for CH4/H2 adsorption and separation applications. © 2025 Hydrogen Energy Publications LLC

关键词： Multilayer neural networks

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Optimizing canopy-spacing configuration increases soybean yield under high planting density

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The Crop Journal 2025年第1期13卷 233-245页

作者： ruidong Li Cailong Xu Zongsheng Wu Yifan Xu Shi Sun Wenwen Song Cunxiang Wu Institute of Crop Sciences Chinese Academy of Agricultural Sciences/National soybean Industrial Technology R&D CenterBeijing 100081China

dense cropping increases crop yield but intensifies resource competition,which reduces single plant yield and limits potential yield *** canopy spacing could enhance resource utilization,support crop morphological development and increase ***,a three-year study was performed to verify the feasibility of adjusting row spacing to further enhance yield in densely planted *** three row-spacing configurations(40-40,20-40,and 20-60 cm)and two planting densities(normal 180,000 plants ha 1 and high 270,000 plants ha 1).The differences in canopy structure,plant morphological development,photosynthetic capacity and their impact on yield were *** spacing configurations have a significant effect on canopy transmittance(CT).The 20-60 cm row spacing configuration increased CT and creates a favorable canopy light environment,in which plant height is reduced,while branching is *** approach reduces plant competition,optimizes the developments of leaf area per plant,specific leaf area,leaf area development rate,leaf area duration and photosynthetic physiological indices(F_(v)/F_(m),ETr,P_(n)).The significant increase of 11.9%-34.2%in canopy apparent photosynthesis(CAP)is attributed to the significant optimization of plant growth and photosynthetic physiology through CT,an important contributing factor to yield *** yield in the 20-60 cm treatment is 4.0%higher than in equidistant planting under normal planting density,but 5.9%under high density,primarily driven by CAP and pod *** findings suggest that suitable row spacing configurations optimize the light environment for plants,promote source-sink transformation in soybeans,and further improve *** practice,a 20-60 cm row spacing configuration could be employed for high-density soybean planting to achieve a more substantial yield gain.

关键词： Soybean Planting density row-spacing configuration Canopy transmittance Yield

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development of a robust Positioning Method for Unknown radio Sources Using Satellite Constellations

Development of a Robust Positioning Method for Unknown Radio...

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2025 International Technical Meeting of The Institute of Navigation, ITM 2025

作者： Fukushima, Hirofumi Ito, Toshihiro Takabayashi, Yuki Information Technology R&D Center Mitsubishi Electric Corporation Kamakura Japan

ISBN: (纸本)9780936406404

Satellite geolocation uses the Time difference of Arrival (TdOA) derived from the difference in distance between the radio source and each satellite, and the Frequency difference of Arrival (FdOA) derived from the difference in speed in the line of sight of the satellite from the radio source. However, if the radio wave source is a radar wave source, such as pulse radar, multiple TdOAs and FdOAs are calculated, causing ambiguities in the geolocation. One way to solve this ambiguity is to equip a satellite with an array antenna and use azimuth information. However, this would increase the cost of manufacturing the satellite. Therefore, the authors previously proposed a method to solve the ambiguity and locate the target radio source without using the direction, instead using the information of signals acquired multiple times. Using this method, ambiguity can be eliminated, and the derived true target points can be extracted. However, if all the estimated points are used in the positioning process, the positioning accuracy may deteriorate owing to the relatively large dilution of Precision (dOP) of the estimated points. In this paper, we propose a method that calculates the error ellipse followed by each estimation point, and we performed the positioning process using only the estimation points that exist in the common part of the error ellipse, thereby reducing the influence of estimation points with a large dOP and enabling more robust positioning for the relationship between the satellite and unknown radio sources. © 2025 Proceedings of the International Technical Meeting of The Institute of Navigation, ITM. All rights reserved.

关键词： Time difference of arrival

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10-16 GHz High Efficiency Power Amplifier MMIC Using GaN HEMT for 6G Applications

10-16 GHz High Efficiency Power Amplifier MMIC Using GaN HEM...

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2025 IEEE Topical Conference on rF/Microwave Power Amplifiers for radio and Wireless Applications, PAWr 2025

作者： Chu, Chenhao Torii, Takuma Shinjo, Shintaro Yamanaka, Koji Wang, Hua Group Zurich Switzerland Information Technology R&d Center Mitsubishi Electric Corporation Kamakura Japan

ISBN: (纸本)9798331507275

The sixth-generation (6G) wireless communication is emerging by exploring the Frequency range 3 (Fr3) band, spanning from 7 to 24 GHz, i.e., the centimeter-wave (cm-Wave) band. This article presents a two-stage GaN MMIC power amplifier (PA) operating in the upper-mid range of Fr3. A transmission-line-based output matching network is designed to achieve continuous Class-B/J operation, ensuring high efficiency over a wide bandwidth. The fabricated PA chip attains a saturated power-added efficiency (PAEsat) of 34.6-45.9% with an output power (Psat) of 35.1-36.7 dBm from 10 to 16 GHz. At 12 GHz, when tested with a 122.88 MHz 64-QAM signal with a peak-to-average power ratio (PAPr) of 7.12 dB, the PA achieves an average output power (Pavg) of 31.4 dBm, an average PAE (PAEavg) of 28.0%, an EVMrms of -26.9 dB, and ACPrs of -35.0/-37.8 dBc. With a 100 MHz 12.83 dB PAPr 64-QAM 5G Nr signal, it achieves a Pavg of 30.6 dBm and a PAEavg of 25.7%, with ACPrs of -28.2/-31.0 dBc. © 2025 IEEE.

关键词： Gallium nitride

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Long-haul Optical-eigenvalue Transmission Using a Neural Network demodulator and Sd-FEC

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IEEE Journal on Selected Areas in Communications 2025年第5期43卷 1498-1511页

作者： Mishina, Ken Harada, ryotaro Yoshida, Tsuyoshi Hisano, daisuke Maruta, Akihiro Osaka University Suita Graduate School of Engineering Osaka565-0871 Japan Mitsubishi Electric Corporation Information Technology R&D Center Kamakura247-8501 Japan

Optical eigenvalue transmission based on inverse scattering transform (IST) has been studied for one of approaches to overcome the Kerr nonlinearity limit in fiber optic communications. In the recent decade, several multilevel modulation schemes that are based on IST, such as 16-ary and 64-ary signals using on-off encoding and b-modulation of multieigenvalues, have been proposed. To increase the transmission capacity and extend the transmission distance, applications of machine learning-based approaches to IST-based transmission have been proposed and demonstrated. Another prospective approach to increase the transmission capacity and extend the transmission distance in fiber optic communication involves the application of soft-decision forward error correction (Sd-FEC). However, the applicability of Sd-FEC to eigenvalue-modulated signals has not yet been investigated in detail because the distribution of the received signal is complicated for IST-based transmissions. In this paper, we describe in detail the theory of optical eigenvalue transmission, including the design of multilevel eigenvaluemodulated signals and the effects of noise and scaring parameters (coefficients for normalization of the nonlinear Schr¨odinger equation). We explain why neural network (NN) demodulators are advantageous for eigenvalue transmission systems. Consequently, we propose a combination of NN-based demodulators and SdFEC decoding. A multilabel NN-based demodulator is employed to compute the L-value from the received eigenvalue pattern at the receiver. For a 16-ary eigenvalue-modulated signal, the proposed method outperformed a combination of the Gaussian approximation and Sd-FEC in the simulation. Moreover, the experimental results show successful operation with error-free transmission through a 3000-km optical fiber line. In addition, we experimentally demonstrate the applicability of Sd-FEC to a 4096-ary eigenvalue-modulated signal. The experimental results indicate that an achieva

关键词： Optical fibers

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Methods for improving HCI degradation in deep sub-micron processes

Methods for improving HCI degradation in deep sub-micron pro...

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2024 International Conference on Optoelectronic Materials and devices, ICOMd 2024

作者： Ma, Yaling Zhang, Song Liu, Qun Wang, dejin Zhou, Yaohui Li, Mincheng Process Integration Technology R&D Center China Resources Shanghua Technology Co. Ltd. Wuxi China

ISBN: (数字)9781510689046

ISBN: (纸本)9781510689039

The development of integrated circuits towards high performance and high integration is an inevitable trend, and the reliability issues brought about by this trend have become increasingly prominent as the electric field intensity and current density increase. With the continuous reduction in the characteristic size of Metal-Oxide-Semiconductor Field-Effect Transistors (MOSFETs), new mechanisms of Hot Carrier Injection (HCI) have emerged, seriously affecting the service life of the devices. This paper investigates the impact of HCI degradation on device lifetime by altering the CESL (Contact Etch Stop Layer) film in the device. By comparing the reliability assessment results of devices with SiON and SiN as the CESL films, it is confirmed that using SiON as the CESL film can enhance the device's lifespan. Both Pure 5V CMOS and LdMOS can pass process reliability assessments and meet industry standards. © 2025 SPIE.

关键词： MOS devices

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Latest Technological Progress in drilling and Completion Operations of the Unconventional reservoir in Xinjiang MaHu Oil Field and Key Suggestions for the Next Steps

Latest Technological Progress in Drilling and Completion Ope...

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2025 International Petroleum technology Conference, IPTC 2025

作者： Hu, Huaigang Xi, Chuanming Ji, Guodong Zhang, Nan Wu, Qiang Zhuo, Lubin Zou, Lingzhan CNPC Engineering Technology R&D Company Limited Beijing China National Engineering Research Center for Oil Gas Drilling and Completion Technology Beijing China Xinjiang Oilfield Engineering Technology R&D Company Limited Karamay China

ISBN: (纸本)9781959025436

due to the differences in sedimentary environments, compared with the exploitation of unconventional oil and gas resources in the United States and other countries, China has encountered greater difficulties in the drilling and completion processes of unconventional oil and gas. By analyzing the problems faced by drilling and completion in unconventional reservoirs in the MaHu area in recent years, the process of solving the issues and technical progress are summarized to form a technical template for drilling and completion in this area, which can also provide references for the next step to improve the drilling efficiency and reduce development costs. By studying the lateral distribution law of the pore pressure, the placement of the technical casing was optimized to further develop a standard design for the wellbore structure applicable to this area. To adapt to the local environmental protection requirements, high-performance non-sulfonic treatment agents were selected to replace sulfonic treatment agents, and four sets of environmental protection drilling fluid systems were formed. Based on the rock mechanics and field tests, the personalized drill bit is continuously optimized. With the introduction of a rotary steering drilling system and high-performance positive displacement motor (PdM), the rate of penetration (rOP) has been greatly improved. The transformation of horizontal Wells in the target Triassic formation from four types of casing strings with open hole completion + White oil-based/potassium-calcium based polysulfone organic salt drilling fluid to three types of casing strings with 5-inch casing completion + white-oil/potassium-calcium polyamine organic salt drilling fluid, from conventional rotary drilling + roller cone bit to rotary steering system/high-performance PdM +PdC bit, and the horizontal section length increased from 2000m to 2650m. Completion time decreased from an average of 144 days to 72 days. Speak of the Permian formation, the tra

关键词： Oil well completion

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Ultralow-Vertical-Current Magnetization Switching Effect in an All Van der Waals 2d Heterostructure

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Chinese Physics Letters 2025年第2期42卷 239-248页

作者： Hao Wu Li Yang Gaojie Zhang Wen Jin Jie Yu Bichen Xiao Ahmed Annas Wenfeng Zhang Haixin Chang Center for Joining and Electronic Packaging State Key Laboratory of Material Processing and Die&Mold TechnologySchool of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China Wuhan National High Magnetic Field Center and Institute for Quantum Science and Engineering Huazhong University of Science and TechnologyWuhan 430074China Shenzhen R&D Center of Huazhong University of Science and Technology Shenzhen 518000China

The manipulation of magnetization and spin polarization using electrical currents represents a fundamental breakthrough in *** has formed the foundation for data storage and next-generation computing ***-transfer torque(STT)and spin-orbit torque(SOT)have emerged as prominent mechanisms in current-driven magnetization ***,these approaches typically require critical current densities in the range of 10^(6) to 10^(9) A·cm^(-2),resulting in significant heat generation during data writing ***,we report the discovery of an ultralow-vertical-current magnetization switching effect in a van der Waals ferromagnetic/ferroelectric heterostructure based on the modulation of the critical magnetic field(H_(C))using small vertical currents,with a critical current density as low as 1.81A·cm^(-2) and an average effective field(H_(eff)/J_(C))as high as 150.3mT·A^(-1)·cm^(2).This unique magnetization switching effect with ultralow-critical-vertical-current densities typically six to nine orders of magnitude lower than those of the STT and SOT provides a new transformative and viable pathway for developing next-generation spintronic and quantum technologies.

关键词： magnetization critical typically

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Halophobic Prussian blue analogue electrodes for saturated saline water electrolysis

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Nano research 2025年第3期18卷 90-97页

作者： Wei Liu Jiage Yu Boyu ding Tianshui Li Shihang Li Xinlong Guo Linlin Zhou Benqiang Tian Yixin Zhang Yizhe Li Mengze Ma Kairui Wang Huijun Xin daojin Zhou Yun Kuang Xiaoming Sun State Key Laboratory of Chemical Resource Engineering College of ChemistryBeijing University of Chemical TechnologyBeijing 100029China Ocean Hydrogen Energy R&D Center Research Institute of Tsinghua University in ShenzhenShenzhen 518057China

Continuous seawater electrolysis is efficient for green hydrogen production,but some key issues have been *** example,the accumulated to saturated NaCl in electrolyte is poison to cathode by covering its surface and available active *** we demonstrate Pt/NiFe Prussian blue analogue(Pt/NiFePBA)electrode can continuously catalyze hydrogen evolution effectively at−500 mA·cm^(−2)in a 6 M NaOH electrolyte containing saturated NaCl,without being impeded by the formation of NaCl crystals on the electrode surface,which is in distinct contrast to commercial *** results indicate that Fe(CN)_(6)^(4−)spontaneously released by Pt/NiFePBA blocks the traditionally preferred basal plane growth of NaCl along{100}facets,but favors its growth along{110}basal *** alteration leads to an increased crystallization difficulty of NaCl near the electrode,rendering it halophobic(anti-NaCl precipitation)*** investigation should shed light on general salt involving process besides the practical implementation of seawater electrolysis.

关键词： seawater electrolysis saturate saline water hydrogen evolution reaction halophobic electrode Prussian blue analogue

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