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Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： Jia Zhao Taixi Feng Guimin Lu National Engineering research center for Integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint International Laboratory for Potassium and Lithium strategic Resources East China University of Science and TechnologyShanghai 200237China

The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation

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Modification of Maxwell model for conductivity prediction of carbon nanotubes-filled polymer composites with tunneling effect

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Applied Mathematics and Mechanics(English Edition) 2025年第1期46卷 25-36页

作者： Jue ZHU Longyuan LI Ningtao ZHU Zhejiang Provincial Engineering research center for the Safety of Pressure Vessel and Pipeline Key Laboratory of impact and Safety Engineering (Ningbo University) Ministry of Education School of Engineering Computing and Mathematics University of Plymouth Xi'an Zhanshi Testing & Engineering Co.Ltd.

Carbon nanotubes(CNTs) have garnered great attention in recent years due to their outstanding electrical, thermal, and mechanical properties. The incorporation of small amounts of CNTs in polymers can substantially improve the sensitivity of the polymer's electrical conductivity. This paper presents a modified Maxwell model to evaluate the electrical conductivity of CNTs-filled polymer composites by introducing a transition zone to account for the tunneling effect. In this modified Maxwell model, the CNTs-filled polymer composite is modeled as a three-phase composite, consisting of a matrix(polymer), inclusions(CNTs), and a transition zone(tunneling zone). The effective electrical conductivity(EEC) of the composite is calculated based on the volume fractions and electrical conductivities of the matrix, inclusions, and transition zone. The model's validity is confirmed through the use of available test data, which demonstrates its capability to accurately capture the nonlinear conductivity behavior observed in CNTs-polymer composites. This study offers valuable insights into the design of high-performance conductive polymer nanocomposites, and enhances the understanding of electrical conduction mechanisms in CNT-dispersed polymer composites.

关键词： Nanoclay

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Overview of in-situ oxygen production technologies for lunar resources

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 233-255页

作者： Youpeng Xu Sheng Pang Liangwei Cong Guoyu Qian Dong Wang Laishi Li Yusheng Wu Zhi Wang College of Materials Science and Engineering Shenyang University of TechnologyShenyang 110870China CAS Key Laboratory of Green Process and Engineering National Engineering Research Center for Green Recycling of Strategic Metal ResourcesInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China

The rich resources and unique environment of the Moon make it an ideal location for human expansion and the utilization of extraterrestrial ***,crucial for supporting human life on the Moon,can be extracted from lunar regolith,which is highly rich in oxygen and contains polymetallic *** oxygen and metal extraction can be achieved using existing metallurgical ***,the ample reserves of water ice on the Moon offer another means for oxygen *** paper offers a detailed overview of the leading technologies for achieving oxygen production on the Moon,drawing from an analysis of lunar resources and environmental *** delves into the principles,processes,advantages,and drawbacks of water-ice electrolysis,two-step oxygen production from lunar regolith,and one-step oxygen production from lunar *** two-step methods involve hydrogen reduction,carbothermal reduction,and hydrometallurgy,while the one-step methods encompass fluorination/chlorination,high-temperature decomposition,molten salt electrolysis,and molten regolith electrolysis(MOE).Following a thorough comparison of raw materials,equipment,technology,and economic viability,MOE is identified as the most promising approach for future in-situ oxygen production on the *** the corrosion characteristics of molten lunar regolith at high temperatures,along with the Moon's low-gravity environment,the development of inexpensive and stable inert anodes and electrolysis devices that can easily collect oxygen is critical for promoting MOE technology on the *** review significantly contributes to our understanding of in-situ oxygen production technologies on the Moon and supports upcoming lunar exploration initiatives.

关键词： lunar resources in-situ oxygen production space metallurgy molten lunar regolith electrolysis

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Market Drivers in India’s Smart Grid:Responsibilities and Roles of Stakeholders

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Energy Engineering 2025年第1期122卷 101-128页

作者： Abhay Sanatan Satapathy Suresh Kumar Sahoo Asit Mohanty Yasser Fouad Manzoore ElahiMohammad Soudagar Erdem Cuce Faculty of Management Studies Sri Sri UniversityCuttack754006India Institute of Power Engineering National Energy UniversityJalan Ikram-UnitenKajangSelangor43000Malaysia Centre of research impact and Outcome Chitkara UniversityRajpura140417PunjabIndia Department of Applied Mechanical Engineering College of Applied EngineeringMuzahimiyah BranchKing Saud UniversityRiyadh11421Saudi Arabia College of Engineering Lishui UniversityLishui323000China Department of Mechanical Engineering Graphic Era(Deemed to be University)Dehradun248002UttarakhandIndia Department of Mechanical Engineering Faculty of EngineeringUniversity of MalayaKuala Lumpur50603Malaysia Department of Mechanical Engineering Faculty of Engineering and ArchitectureRecep Tayyip Erdogan UniversityZihni Derin CampusRize53100Turkey center for research impact&Outcome Chitkara UniversityRajpura140401PunjabIndia University Centre for research and Development Chandigarh UniversityMohali140413PunjabIndia

The emergence of smart grids in India is propelled by an intricate interaction of market dynamics,regulatory structures,and stakeholder *** study analyzes the primary factors that are driving the widespread use of smart grid technologies and outlines the specific roles and obligations of different stakeholders,such as government entities,utility companies,technology suppliers,and *** activities and regulations are crucial in facilitating the implementation of smart grid technology by offering financial incentives,regulatory assistance,and strategic *** firms have the responsibility of implementing and integrating smart grid infrastructure,with an emphasis on improving the dependability of the grid,minimizing losses in transmission and distribution,and integrating renewable energy *** companies offer the essential hardware and software solutions,which stimulate creativity and enhance *** actively engage in the energy ecosystem by participating in demand response,implementing energy saving measures,and adopting distributed energy resources like solar panels and electric *** study examines the difficulties and possibilities in India’s smart grid industry,highlighting the importance of cooperation among stakeholders to build a strong,effective,and environmentally friendly energy future.

关键词： Smart grid stakeholders smart grid technology market drivers

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Optimizing Fine-Tuning in Quantized Language Models:An In-Depth Analysis of Key Variables

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Computers, Materials & Continua 2025年第1期82卷 307-325页

作者： Ao Shen Zhiquan Lai Dongsheng Li Xiaoyu Hu National Key Laboratory of Parallel and Distributed Computing National University of Defense TechnologyChangsha410073China strategic Assessments and Consultation Institute Academy of Military ScienceBeijing100091China

Large-scale Language Models(LLMs)have achieved significant breakthroughs in Natural Language Processing(NLP),driven by the pre-training and fine-tuning *** this approach allows models to specialize in specific tasks with reduced training costs,the substantial memory requirements during fine-tuning present a barrier to broader ***-Efficient Fine-Tuning(PEFT)techniques,such as Low-Rank Adaptation(LoRA),and parameter quantization methods have emerged as solutions to address these challenges by optimizing memory usage and computational *** these,QLoRA,which combines PEFT and quantization,has demonstrated notable success in reducing memory footprints during fine-tuning,prompting the development of various QLoRA *** these advancements,the quantitative impact of key variables on the fine-tuning performance of quantized LLMs remains *** study presents a comprehensive analysis of these key variables,focusing on their influence across different layer types and depths within LLM *** investigation uncovers several critical findings:(1)Larger layers,such as MLP layers,can maintain performance despite reductions in adapter rank,while smaller layers,like self-attention layers,aremore sensitive to such changes;(2)The effectiveness of balancing factors depends more on specific values rather than layer type or depth;(3)In quantization-aware fine-tuning,larger layers can effectively utilize smaller adapters,whereas smaller layers struggle to do *** insights suggest that layer type is a more significant determinant of fine-tuning success than layer depth when optimizing quantized ***,for the same discount of trainable parameters,reducing the trainable parameters in a larger layer is more effective in preserving fine-tuning accuracy than in a smaller *** study provides valuable guidance for more efficient fine-tuning strategies and opens avenues for further research into optimizing LLM

关键词： Large-scale Language Model Parameter-Efficient Fine-Tuning parameter quantization key variable trainable parameters experimental analysis

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Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion

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Green Energy & Environment 2025年第1期10卷 109-131页

作者： Wei Ma Jiahao Yao Fang Xie Xinqi Wang Hao Wan Xiangjian Shen Lili Zhang Menggai Jiao Zhen Zhou Interdisciplinary research center for Sustainable Energy Science and Engineering(IRC4SE2) School of Chemical EngineeringZhengzhou UniversityHenan450001China

Point defect engineering endows catalysts with novel physical and chemical properties,elevating their electrocatalytic *** introduction of defects emerges as a promising strategy,effectively modifying the electronic structure of active *** optimization influences the adsorption energy of intermediates,thereby mitigating reaction energy barriers,altering paths,enhancing selectivity,and ultimately improving the catalytic efficiency of *** elucidate the impact of defects on the electrocatalytic process,we comprehensively outline the roles of various point defects,their synthetic methodologies,and characterization ***,we consolidate insights into the relationship between point defects and catalytic activity for hydrogen/oxygen evolution and CO_(2)/O_(2)/N_(2) reduction reactions by integrating mechanisms from diverse *** underscores the pivotal role of point defects in enhancing catalytic *** last,the principal challenges and prospects associated with point defects in current electrocatalysts are proposed,emphasizing their role in advancing the efficiency of electrochemical energy storage and conversion materials.

关键词： Point defect engineering Doping Vacancy Electrocatalysis Electronic structure

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New insights on the role of chondroitin sulfate proteoglycans in neural stem cell–mediated repair in spinal cord injury

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Neural Regeneration research 2025年第6期20卷 1699-1700页

作者： Seyed Mojtaba Hosseini Soheila Karimi-Abdolrezaee Department of Physiology and Pathophysiology Spinal Cord Research CentreRady Faculty of Health SciencesUniversity of ManitobaWinnipegMBCanada Manitoba Multiple Sclerosis research center WinnipegMBCanada Children Hospital research Institute of Manitoba WinnipegMBCanada

Extensive neurodegeneration is a hallmark of traumatic spinal cord injury (SCI) that underlies permanent sensorimotor and autonomic impairments (Alizadeh et al.,2019).Following the primary impact,the spinal cord undergoes a cascade of secondary injury mechanisms that are driven by disruption of the blood-spinal cord ba rrier,vascula r inju ry,glial reactivity,neu roinfla mmation,oxidative stress,lipid peroxidation,and glutamate excitotoxicity that culminate in neuronal and oligodendroglial cell death,demyelination,and axonal damage(Alizadeh et al.,2019).To achieve a meaningful functional recovery after SCI,regeneration of new neurons and oligodendrocytes and their successful growth and integration within the neural network are critical steps for reconstructing the damaged spinal cord tissue (Fischer et al.,2020).

关键词： peroxidation Fischer injury

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Neural Regeneration research 2025年第2期20卷 366-377页

作者： Samuel Abokyi Dennis Yan-yin Tse School of Optometry The Hong Kong Polytechnic UniversityKowloonHong Kong Special Administrative RegionChina research center for SHARP Vision The Hong Kong Polytechnic UniversityKowloonHong Kong Special Administrative RegionChina center for Eye and Vision research Sha TinHong Kong Special Administrative RegionChina

Retinal aging has been recognized as a significant risk factor for various retinal disorders,including diabetic retinopathy,age-related macular degeneration,and glaucoma,following a growing understanding of the molecular underpinnings of their *** comprehensive review explores the mechanisms of retinal aging and investigates potential neuroprotective approaches,focusing on the activation of transcription factor *** meta-analyses have demonstrated promising outcomes of transcription factor EB-targeted strategies,such as exercise,calorie restriction,rapamycin,and metformin,in patients and animal models of these common retinal *** review critically assesses the role of transcription factor EB in retinal biology during aging,its neuroprotective effects,and its therapeutic potential for retinal *** impact of transcription factor EB on retinal aging is cell-specific,influencing metabolic reprogramming and energy homeostasis in retinal neurons through the regulation of mitochondrial quality control and nutrient-sensing *** vascular endothelial cells,transcription factor EB controls important processes,including endothelial cell proliferation,endothelial tube formation,and nitric oxide levels,thereby influencing the inner blood-retinal barrier,angiogenesis,and retinal ***,transcription factor EB affects vascular smooth muscle cells,inhibiting vascular calcification and *** retinal pigment epithelial cells,transcription factor EB modulates functions such as autophagy,lysosomal dynamics,and clearance of the aging pigment lipofuscin,thereby promoting photoreceptor survival and regulating vascular endothelial growth factor A expression involved in *** cell-specific functions of transcription factor EB significantly impact retinal aging mechanisms encompassing proteostasis,neuronal synapse plasticity,energy metabolism,microvasculature,and inflammation,ultimately offering pro

关键词： age-related macular degeneration anti-aging interventions autophagy calorie restriction diabetic retinopathy exercise glaucoma neuromodulation phagocytosis photoreceptor outer segment degradation retinal aging transcription factor EB

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Gradient maturation experiment on hairs implies taphonomic changes in fossil hairs

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Science China Earth Sciences 2025年第1期68卷 62-73页

作者： Xin LI Yibo ZHOU Tao ZHAO Xingjian HE Yanhong PAN State Key Laboratory for Mineral Deposits research Center for Critical Earth Material Cycling Centre for Research and Education on Biological Evolution and Environment and Frontiers Science School of Earth Sciences and Engineering Nanjing University Institute of Palaeontology Yunnan Key Laboratory of Earth System Science Yunnan Key Laboratory for PalaeobiologyYunnan University

Mammalian hair, as a key feature related to endothermy, physical protection, and camouflage, has a long geohistorical record that dates back even to the Mesozoic. However, the limited information on the taphonomy of hair hinders the understanding of its evolutionary significance in deep time. To address this, we conducted taphonomic experiments to simulate the transformation process of black hair. The changes in the morphological structure, microscopic characteristics, and chemical composition of hair during the simulated fossilization process were documented by scanning electron microscopy, Fourier transform infrared(FTIR) spectroscopy, and Raman spectroscopy. Our results revealed that damage to the morphology of hair began at a mild temperature(150–175°C), and hair transformed into a fluid-like mass at a relatively high temperature(200°C). In addition, the morphological structure of melanosomes had relatively greater preservation potential than keratins did, and the microscopic features of melanosomes were persistently stable. The Raman and FTIR spectra indicated that the characteristic melanin and keratin peaks changed as the temperature increased. Although the chemical signals were not lost completely, the variations in the characteristic amide bands in the FTIR spectra indicate that the keratins severely degraded at high temperatures(>200°C), whereas the characteristic melanin bands in the Raman spectra suggested that melanin signals were still recognizable, even at high temperatures(>200°C). These results were confirmed by principal component analysis(PCA) and principal component analysis linear discriminant analysis(PCA–LDA). In addition, the Raman signals of all the samples in the simulated experiments were distinguished from the signals of common geological carbonaceous materials(humic acid), which suggested that Raman spectroscopy can be used to detect melanin in fossils.

关键词： Mammalian hair Melanin Keratin Fossilization Experimental taphonomy

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Making bridges between preclinical and clinical insights into age-related cognitive decline

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Neural Regeneration research 2025年第8期20卷 2321-2322页

作者： David VC Brito Clévio Nóbrega Algarve Biomedical center-research Institute(ABC-RI) Campus GambelasFaroPortugal Algarve Biomedical center-(ABC) Campus GambelasFaroPortugal Faculty of Medicine and Biomedical Sciences(FMCB) University of AlgarveGambelas CampusFaroPortugal

With people living longer,the societal impact of age-related cognitive decline is becoming more pronounced(Crimmins,2015).Thus,it is increasingly important to comprehend the cognitive shifts linked to aging-whether th... 详细信息

关键词： bridges becoming insight

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