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Effect of Ti Additions on Mechanical and Thermodynamic Properties of W-Ti Alloys: A First-principles Study

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 246-257页

作者： zhang Jian NIE wei HUANG Jin ZHU Ke LIU Ruxia zhang Ruizhi LUO Guoqiang SHEN Qiang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Institute for Carbon Neutrality University of Science and Technology BeijingBeijing 100083China

The mechanical and thermodynamic properties of W-Ti alloys(including W_(15)Ti_(1),W_(14)Ti_(2),W_(12)Ti_(4) and W_(8)Ti_(8) alloys)were investigated by the first-principles approach based on density functional *** results indicate that W-Ti alloys except W_(8)Ti_(8) are thermodynamically *** modulus and hardness of W-Ti alloys are smaller than those of pure tungsten and gradually decrease with increasing Ti ***,their B/G ratios and Poisson's ratios exceed those of pure tungsten,suggesting that the introduction of Ti decreases the mechanical strength while enhancing the ductility of W-Ti *** thermal expansion coefficients for W-Ti alloys all surpass those of pure tungsten,indicating that the introduction of titanium exacerbates the thermal expansion behavior of W-Ti ***,elevated pressure has the capacity to suppress the thermal expansion tendencies in titanium-doped tungsten *** study offers theoretical insights for the design of nuclear materials by exploring the mechanical and thermodynamic properties of W-Ti alloys.

关键词： first-principles mechanical properties thermodynamic properties tungsten-titanium alloys

Pulsed dynamic electrolysis enhanced PEMWE hydrogen production:Revealing the effects of pulsed electric fields on protons mass transport and hydrogen bubble escape

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Journal of Energy Chemistry 2025年第1期100卷 201-214页

作者： Xuewei zhang wei Zhou Yuming Huang liang Xie Tonghui Li Huimin Kang Lijie Wang Yang Yu Yani Ding Junfeng Li Jiaxiang Chen Miaoting Sun Shuo Cheng Xiaoxiao Meng Jihui Gao Guangbo Zhao School of Energy Science and Engineering Harbin Institute of Technology China Datang Technology Innovation Co. Ltd

The transition of hydrogen sourcing from carbon-intensive to water-based methodologies is underway,with renewable energy-powered proton exchange membrane water electrolysis （PEMWE） emerging as the preeminent pathway for hydrogen *** remarkable advancements in this field,confronting the sluggish electrochemical kinetics and inherent high-energy consumption arising from deteriorated mass transport within PEMWE systems remains a formidable *** impediment stems primarily from the hindered protons mass transfer and the untimely hydrogen bubbles *** address these challenges,we harness the inherent variability of electrical energy and introduce an innovative pulsed dynamic water electrolysis *** to constant voltage electrolysis (hydrogen production rate:51.6 m L h-1,energy consumption:5.37 kWh Nm-3H2),this strategy (hydrogen production rate:66 m L h-1,energy consumption:3.83 kWh Nm-3H2) increases the hydrogen production rate by approximately 27%and reduces the energy consumption by about 28%.Furthermore,we demonstrate the practicality of this system by integrating it with an off-grid photovoltaic （PV） system designed for outdoor operation,successfully driving a hydrogen production current of up to 500 mA under an average voltage of approximately 2 *** combined results of in-situ characterization and finite element analysis reveal the performance enhancement mechanism:pulsed dynamic electrolysis （PDE） dramatically accelerates the enrichment of protons at the electrode/solution interface and facilitates the release of bubbles on the electrode *** such,PDE-enhanced PEMWE represents a synergistic advancement,concurrently enhancing both the hydrogen generation reaction and associated transport *** promising technology not only redefines the landscape of electrolysis-based hydrogen production but also holds immense potential for broadening its application across a diverse spectrum of electrocatalytic endeavors.

关键词： Electrolysis

Boosting aqueous nickel-zinc battery stability with bimetallic ion-integrated 1D metal-organic nanowires

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Science China Chemistry 2025年

作者： Yihao Chen Jin liang Yichun Su Guoyin Zhu Hengyue Xu Hongye Ding Guangxun zhang Dianheng Yu Zizhou Shen Yizhou zhang wei Huang Huan Pang School of Chemistry and Chemical Engineering Yangzhou University Key Laboratory of Flexible Electronics (KLoFE) & Institute of Advanced Materials (IAM) School of Flexible Electronics (Future Technologies) Nanjing Tech University (NanjingTech) Institute of Advanced Materials and Flexible Electronics (IAMFE) School of Chemistry and Materials Science Nanjing University of Information Science & Technology Department of Chemistry Tsinghua University State Key Laboratory of Coordination Chemistry Nanjing University

Limited by low conductivity,designing cathode materials with excellent electron transfer efficiency for high-performance nickel-zinc batteries （NZBs） remains *** this study,a series of bimetallic metal-organic nanowires were fabricated by doping M ions in NiNTA,resulting in NiMNTA (M=Mg2+,Mn2+,Co2+,Zn2+,Ag+),and NixCo6-xNTA （x=1,2,3,4,5）.The proportions and types of metal ions can be modified without altering the initial coordination structure.X-ray absorption fine structure spectroscopy （XAFS） revealed that only M–O bonds,not metal bonds,were present in the *** performance of Ni2Co4NTA as the cathode for aqueous NZBs was significantly improved,achieving the maximum energy density of 279.17Wh kg-1with the high cycle stability （retention rate of 72.0%after 1,000 cycles）.The flexible Ni2Co4NTA//Zn@carbon cloth battery employing gel electrolyte also exhibits the excellent Coulombic efficiency of 96%after 350 *** approach shows considerable potential for designing one-dimensional materials with bimetallic modifications,providing new strategies for developing cathode materials for NZBs with high specific capacity and cycle stability.

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Defects‑Rich Heterostructures Trigger Strong Polarization Coupling in Sulfides/Carbon Composites with Robust Electromagnetic Wave Absorption

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Nano-Micro Letters 2025年第1期17卷 528-547页

作者： Jiaolong Liu Siyu zhang Dan Qu Xuejiao Zhou Moxuan Yin Chenxuan Wang Xuelin zhang Sichen Li Peijun zhang Yuqi Zhou Kai Tao Mengyang Li Bing wei Hongjing Wu Mengyang Li Bing wei Hongjing Wu School of Physics Xidian UniversityXi’an 710071People’s Republic of China School of Advanced Materials and Nanotechnology State Key Discipline Laboratory of Wide Band Gap Semiconductor TechnologyXidian UniversityXi’an 710071People’s Republic of China School of Microelectronics Xidian UniversityXi’an 710071People’s Republic of China School of Telecommunication Engineering Xidian UniversityXi’an 710071People’s Republic of China MOE Key Laboratory of Material Physics and Chemistry Under Extraordinary School of Physical Science and TechnologyNorthwestern Polytechnical UniversityXi’an 710072People’s Republic of China The Ministry of Education Key Laboratory of Micro and Nano Systems forAerospace School of Mechanical EngineeringNorthwestern PolytechnicalUniversityXi’an 710072People’s Republic of China

Defects-rich heterointerfaces integrated with adjustable crystalline phases and atom vacancies,as well as veiled dielectric-responsive character,are instrumental in electromagnetic *** methods,however,constrain their delicate ***,an innovative alternative is proposed:carrageenan-assistant cations-regulated(CACR)strategy,which induces a series of sulfides nanoparticles rooted in situ on the surface of carbon *** unique configuration originates from strategic vacancy formation energy of sulfides and strong sulfides-carbon support interaction,benefiting the delicate construction of defects-rich heterostructures in M_(x)S_(y)/carbon composites(M-CAs).Impressively,these generated sulfur vacancies are firstly found to strengthen electron accumulation/consumption ability at heterointerfaces and,simultaneously,induct local asymmetry of electronic structure to evoke large dipole moment,ultimately leading to polarization coupling,i.e.,defect-type interfacial ***“Janus effect”(Janus effect means versatility,as in the Greek two-headed Janus)of interfacial sulfur vacancies is intuitively confirmed by both theoretical and experimental investigations for the first ***,the sulfur vacancies-rich heterostructured Co/Ni-CAs displays broad absorption bandwidth of 6.76 GHz at only 1.8 mm,compared to sulfur vacancies-free CAs without any dielectric *** defects-rich heterostructures,this one-pot CACR strategy may steer the design and development of advanced nanomaterials,boosting functionality across diverse application domains beyond electromagnetic response.

关键词： Defects-rich heterointerfaces Sulfides Polarization coupling Electromagnetic wave absorption

Multiphysics simulation and optimization of the in-situ beneficiation process of ilmenite minerals from lunar regolith

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Science China Earth Sciences 2025年第1期68卷 195-207页

作者： Peng zhang Xin LIU Guanghui LIU wei DAI Hanzhe YANG Haibo ZHENG Zhi WANG Ran NIU Yifan BAI Yang zhang Chengbao LIU Ge YANG Junwei YANG Guang zhang Technology and Engineering Center for Space Utilization Chinese Academy of Sciences Beijing Hegong Simulation Co. Ltd

The exploration and utilization of lunar resources have become the major objectives of future lunar exploration missions. The classified collection and processing of lunar minerals is the basic prerequisite for the in-situ exploration and utilization of lunar resources. In this study, we propose a scheme for in-situ separation of magnetic minerals from lunar soils using the dry magnetic separation method. The scheme can realize the purpose of separating magnetic minerals from lunar regolith by altering the motion trajectory of lunar regolith particles with different magnetic properties. Detailed modeling of the dry magnetic separation device is conducted, and the three-dimensional distribution of magnetic parameters is calculated and analyzed. Based on the characterization and analysis of the Chang E-5's samples, the morphologies and physical parameters of lunar regolith particles are modeled and simulated. A discrete element simulation of the motion process of lunar regolith particles under multi-physical field conditions is performed, and the influences of key parameters on the beneficiation performance of lunar magnetic minerals are investigated. Our results indicate that optimal separation and beneficiation of lunar regolith particles can be achieved under specific conditions of magnetic field strength and drum speed. Additionally, we analyze the effects of lunar weak gravity conditions and the charged nature of lunar particles on the beneficiation process, showing that these factors can obviously enhance the beneficiation process of lunar ilmenites. This study demonstrates the feasibility of using the dry magnetic separation method for the beneficiation of magnetic minerals from lunar regolith, providing a theoretical basis for the scientific tasks of collecting, processing, and utilizing lunar mineral resources.

关键词： Lunar regolith In-situ resource utilization Magnetic separation Classified sampling

Inhibiting ceramide synthase 5 expression in microglia decreases neuroinflammation after spinal cord injury

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Neural Regeneration Research 2025年第10期20卷 2955-2968页

作者： wei zhang Yubao Lu Ruoqi Shen Yingjie Wu Chenrui Liu Xingxing Fang liangming zhang Bin Liu Limin Rong Department of Spine Surgery The Third Affiliated HospitalSun Yat-sen UniversityGuangzhouGuangdong ProvinceChina National Medical Products Administration(NMPA)Key Laboratory for Quality Research and Evaluation of Cell Products GuangzhouGuangdong ProvinceChina Guangdong Provincial Center for Quality Control of Minimally Invasive Spine Surgery GuangzhouGuangdong ProvinceChina Guangdong Provincial Center for Engineering and Technology Research of Minimally Invasive Spine Surgery GuangzhouGuangdong ProvinceChina

Microglia,the resident monocyte of the central nervous system,play a crucial role in the response to spinal cord ***,the precise mechanism remains *** investigate the molecular mechanisms by which microglia regulate the neuroinflammatory response to spinal cord injury,we performed single-cell RNA sequencing dataset analysis,focusing on changes in microglial *** found that the MG1 subpopulation emerged in the acute/subacute phase of spinal cord injury and expressed genes related to cell pyroptosis,sphingomyelin metabolism,and neuroinflammation at high ***,we established a mouse model of contusive injury and performed intrathecal injection of siRNA and molecular inhibitors to validate the role of ceramide synthase 5 in the neuroinflammatory responses and pyroptosis after spinal cord ***,we established a PC12-BV2 cell co-culture system and found that ceramide synthase 5 and pyroptosis-associated proteins were highly expressed to induce the apoptosis of neuron *** ceramide synthase 5 expression in a mouse model of spinal cord injury effectively reduced ***,ceramide synthase 5-induced pyroptosis was dependent on activation of the NLRP3 signaling *** ceramide synthase 5 expression in microglia in vivo reduced neuronal apoptosis and promoted recovery of neurological ***2g7 formed a“bridge”between sphingolipid metabolism and ceramide synthase 5-mediated cell death by inhibiting the NLRP3 signaling ***,these findings suggest that inhibiting ceramide synthase 5 expression in microglia after spinal cord injury effectively suppressed microglial pyroptosis mediated by NLRP3,thereby exerting neuroprotective effects.

关键词： ceramide synthase 5 gasdermin D microglia neuroinflammation NLRP3 nuclear factor kappa B Pla2g7 pyroptosis sphingomyelin metabolism spinal cord injury

Analysis of Micromechanical Properties at the Interface of Pre-wet SBS Modified Asphalt Mixture Based on Molecular Simulation Technology

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 103-113页

作者： CHEN Wuxing CHEN Shuang YU Yan zhang Jiangyi XU Haiyang GUO wei School of Mines China University of Mining and TechnologyXuzhou 221000China College of Construction Engineering Jilin Uni-versityChangchun 130026China

The pre-wetting of aggregate surface is a means to improve the interface performance of SBS modified asphalt and *** effect of pre-wetting technology on the interaction between SBS modified asphalt and aggregate was analyzed by molecular dynamics *** diffusion coefficient and concentration distribution of SBS modified asphalt on aggregate surface are *** simulation results show that the diffusion coefficient of the aggregate surface of SBS modified asphalt is increased by 47.6%and 70.5%respectively after 110#asphalt and 130#asphalt are *** concentration distribution of SBS modified asphalt on the aggregate surface after pre-wetting is more *** to the results of interface energy calculation,the interface energy of SBS modified bitumen and aggregate can be increased by about 5%after *** to the results of molecular dynamics simulation,the pre-wetting technology can effectively improve the interface workability of SBS modified bitumen and aggregate,so as to improve the interface performance.

关键词： pre-wet oil-stone interface interface interaction interface mechanics molecular dynamics simulation

Characteristic changes in astrocyte properties during astrocyte-to-neuron conversion induced by NeuroD1/Ascl1/Dlx2

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Neural Regeneration Research 2025年第6期20卷 1801-1815页

作者： Qing He Zhen Wang Yuchen Wang Mengjie Zhu Zhile liang Kanghong zhang Yuge Xu Gong Chen GHM Institute of CNS Regeneration Jinan UniversityGuangzhouGuangdong ProvinceChina

Direct in vivo conversion of astrocytes into functional new neurons induced by neural transcription factors has been recognized as a potential new therapeutic intervention for neural injury and degenerative disorders. However, a few recent studies have claimed that neural transcription factors cannot convert astrocytes into neurons, attributing the converted neurons to pre-existing neurons mis-expressing transgenes. In this study, we overexpressed three distinct neural transcription factors––NeuroD1, Ascl1, and Dlx2––in reactive astrocytes in mouse cortices subjected to stab injury, resulting in a series of significant changes in astrocyte properties. Initially, the three neural transcription factors were exclusively expressed in the nuclei of astrocytes. Over time, however, these astrocytes gradually adopted neuronal morphology, and the neural transcription factors was gradually observed in the nuclei of neuron-like cells instead of astrocytes. Furthermore,we noted that transcription factor-infected astrocytes showed a progressive decrease in the expression of astrocytic markers AQP4(astrocyte endfeet signal), CX43(gap junction signal), and S100β. Importantly, none of these changes could be attributed to transgene leakage into preexisting neurons. Therefore, our findings suggest that neural transcription factors such as NeuroD1, Ascl1, and Dlx2 can effectively convert reactive astrocytes into neurons in the adult mammalian brain.

关键词： aquaporin-4 Ascl1 astrocyte cortex Dlx2 gap junction glia-to-neuron conversion neural regeneration NeuroD1 reprogramming

FAST WASHING MICRO-REACTOR ON PIEZOELECTRIC SUBSTRATE BASED ON SURFACE ACOUSTIC WAVE

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FAST WASHING MICRO-REACTOR ON PIEZOELECTRIC SUBSTRATE BASED ...