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Nano Research 2024年第9期17卷 8045-8067页

作者： Ziyang Huang Zhenghua Wang Lei Zhou Jun Pu Key Laboratory of Functional Molecular Solids(Ministry of Education) College of Chemistry and Materials ScienceAnhui Provincial Engineering Laboratory for New-Energy Vehicle Battery Energy-Storage MaterialsAnhui Normal UniversityWuhu 241000China school of Energy and Power Engineering Jiangsu UniversityZhenjiang 212013China Department of Electrical Engineering Eindhoven University of TechnologyEindhoven MB 5600The Netherlands

Lithium-sulfur(Li-S)batteries hold the potential to revolutionize energy storage due to the high theoretical capacity and energy ***,the commercialization process is seriously hindered by the rapid capacity decay and low utilization of sulfur,caused by the inevitable slow dynamics and the“shuttle effect”.The incorporation of metal-based electrocatalysts into sulfur cathodes shows promise in promoting the conversion of lithium polysulfides(LiPSs),reducing the“shuttle effect”,and enhancing cell kinetics and cycle *** these,Fe-based materials,characterized by environmental friendliness,low cost,abundant reserves,and high activity,are extensively used in sulfur cathode *** article reviews the advancements of Fe-based materials in enhancing Li-S batteries in recent *** from single/multi-component Fe-based metal compounds and single/bimetallic atoms,the influence of different Fe coordination environments on the conversion mechanism of LiPSs is *** is hoped that this review and the proposed prospects can further stimulate the development and application of the Fe element in Li-S batteries in the future.

关键词： Li-S batteries Fe-based nanomaterials shuttle effect reaction kinetics

The influence of elevation on soil properties and forest litter in the Siliceous Moncayo Massif,SW Europe

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Journal of Mountain science 2016年第12期13卷 2155-2169页

作者： BADIA David RUIZ Alberto GIRONA Antonio MARTI Clara CASANOVA Jose IBARRA Paloma ZUFIAURRE Raquel Department of Agricultural and Environmental sciences Technic School of Agricultural Engineering and Environmental SciencesUniversidad de Zaragoza Department of Geography and Land Management University of Zaragoza Department of Analytical Chemistry Technic School of Agricultural Engineering and Environmental SciencesUniversity of Zaragoza

Understanding the effects of elevation and related factors(climate,vegetation) on the physical and chemical soil properties can help to predict changes in response to future climate or afforestation *** work aims to contribute to the knowledge of soil evolution and the classification of forest soils in relation to elevation in the montane stage,with special attention to podzolization and humus *** northern flank of the Moncayo Massif(Iberian Range,SW Europe) provides a unique opportunity to study a forest soils catena within a consistent quartzitic parent material over a relatively steep elevation *** increasing elevation,pH,base saturation,exchangeable potassium,and fine silt-sized particles decrease significantly,while organic matter,the C/N ratio,soil aggregate stability,water repellency and coarse sand-sized particles increase *** soil profiles shared a set of properties in all horizons:loamy-skeletal particle-size,extreme acidity(pH-H_2O<5.6) and low base saturation(<50%).The most prevalent soil forming processes in the catena include topsoil organic matter accumulation and even podzolization,which increases with *** the upper to lower landscape positions of wooded montane stage of the Moncayo Massif,mull-moder-mor humus and an UmbrisolCambisol-Podzol soil unit sequences were found.

关键词： Montane stage Forest soils Catena Humus forms Podzolization Siliceous Moncayo Massif

机器学习原子间势在材料跨尺度计算模拟中的最新进展

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science China Materials 2024年第4期67卷 1082-1100页

作者：冉念殷亮邱吴劼刘建军 State Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050China Center of Materials science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China school of Chemistry and Materials science Hangzhou Institute for Advanced StudyUniversity of Chinese Academy of SciencesHangzhou 310024China school of Mathematics Physics and StatisticsShanghai Polytechnic UniversityShanghai 201209China

近年来,机器学习原子势(ML-IP)因其兼顾高精度和高效率的优势,在材料科学、化学、生物学等领域的大尺度原子模拟研究中引起了广泛关注.本文聚焦于ML-IP在材料跨尺度计算模型中的应用,全面介绍了ML-IP的结构采样、结构描述符和拟合方法.... 详细信息

近年来,机器学习原子势(ML-IP)因其兼顾高精度和高效率的优势,在材料科学、化学、生物学等领域的大尺度原子模拟研究中引起了广泛关注.本文聚焦于ML-IP在材料跨尺度计算模型中的应用,全面介绍了ML-IP的结构采样、结构描述符和拟合方法.这些方法使ML-IP能够以高精度和高效率模拟分子和晶体的动力学和热力学特性.跨学科研究领域中更高效、先进的技术在开拓覆盖不同时间和空间尺度的广泛应用方面发挥着重要作用.因此,ML-IP方法为未来的研究和创新铺平了道路,为多个领域带来了革命性的机会.

关键词：机器学习原子模拟材料科学原子间势拟合方法结构描述符跨学科研究原子势

An air-stable single-crystal layered oxide cathode based on multifunctional structural modulation for high-energy-density sodium-ion batteries

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science China Chemistry 2024年

作者： Yi-Feng Liu Hai-Yan Hu Jia-Yang Li Hongrui Wang Yi Zhao Jingqiang Wang Yuan-Bo Wu Yan-Jiang Li Guang-Yu Zhang Qing-Qun Sun Yan-Fang Zhu Rui-Ren Tang Xiong-Wei Wu Jia-Zhao Wang Shi-Xue Dou Shu-Lei Chou Yao Xiao Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education) Nankai University school of Chemistry and Materials science Hunan Agricultural University Institute of Energy Materials science University of Shanghai for Science and Technology Wenzhou Key Laboratory of Sodium-Ion Batteries Wenzhou University Technology Innovation Institute for Carbon Neutralization Institute for Carbon Neutralization College of Chemistry and Materials Engineering Wenzhou University College of Chemistry and Chemical Engineering Central South University

P2-type layered oxide, Na2/3Ni1/3Mn2/3O2, has drawn particular interest as a promising cathode material for sodium-ion batteries(SIBs) due to its fast sodium-ion transport channels with low migration potential. However, some catastrophic flaws, such as air instability, complicated multiphase evolution, and irreversible anionic redox, limit its electrochemical performance and hinder its application. Here, an air-stable single-crystal P2-type Na2/3Ni1/3Mn1/3Ti1/3O2is proposed based on the multifunctional structural modulation of Ti substitution that could alleviate the issues for practical SIBs. As a result, the cathode with high energy density shows excellent air stability and highly reversible phase transitions(P2–OP4), and delivers faster kinetics and stable anion redox chemistry. Meanwhile, a thorough investigation of the relationship between structure, function, and properties is demonstrated,emphasizing formation processes, electrochemical behavior, structural evolution, and air stability. Overall, this study provides the direction of multifunctional structural modulation for the development of high-performance sodium-based layered cathode materials for practical applications.

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Emergency management capacity assessment for urban rail transit-an example of Beijing Metro Line 13

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Transportation Safety and Environment 2024年第1期6卷 109-115页

作者： Jiao Liu Yun Qi Wei Wang school of Emergency Management and Safety Engineering China University of Mining&Technology(Beijing)Beijing 100083China China Safety science Journal Editorial Department China Occupational Safety and Health AssociationBeijing 100011China College of mechanical engineering and automation Liaoning University of TechnologyJinzhou 121001LiaoningChina

In order to improve the emergency management capability of urban rail transit system and reduce accidents during metro operation,an emergency management capability evaluation method combining analytic hierarchy process(AHP)and technique for order preference by similarity to ideal solution(TOPSIS)is *** on the Prevention Preparation Response Recovery(PPRR)model,factors influencing the emergency management capability of the urban rail transit system are summarized from the perspective of‘human,machine,environment and management’.Then,an emergency management capability evaluation index system containing of 20 secondary indicators is constructed in four stages:emergency prevention,emergency preparation,emergency response and emergency *** weights of indicators are calculated using the AHP method,and the closeness of each indicator to the optimal solution is analysed with the TOPSIS ***,take the Beijing Metro Line 13 as an example to investigate the level of emergency management capability of urban rail *** results show that the emergency management capability of Beijing’s urban rail transit system is‘well’,among which hazard prevention measures(0.31)and emergency response team(0.34)have a greater weight on the emergency management capability of rail *** model can more accurately assess the emergency management capability of urban rail transit and provide a basis for emergency management.

关键词： urban rail transit emergency management capability analytic hierarchy process(AHP) technique for order preference by similarity to ideal solution(TOPSIS) prevention preparation response recovery(PPRR)model

比较三种稳定剂对FeS纳米颗粒的稳定效果及对水土中镉的固定与去除性能的影响

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Journal of Central South University 2024年第4期31卷 1064-1075页

作者：田舒婷赵东叶霍丽娟马骏杨睿 Department of Environmental science School of Environment and ResourcesTaiyuan University of Science and TechnologyTaiyuan 030024China Environmental Engineering Program Department of Civil&Environmental EngineeringAuburn UniversityAuburnAL 36849USA Department of Civil Constructionand Environmental EngineeringSan Diego State UniversitySan DiegoCA 92182USA

本研究评估了三种多糖稳定剂(羧甲基纤维素钠(CMC)、羧甲基淀粉钠(CMS)和一种水溶性淀粉)用于稳定FeS纳米颗粒的有效性,并测试了相应稳定化纳米颗粒在水和土壤中固定Cd^(2+)的性能。使用0.010 wt%CMC、0.025 wt%CMS或0.065 wt%淀粉可获... 详细信息

本研究评估了三种多糖稳定剂(羧甲基纤维素钠(CMC)、羧甲基淀粉钠(CMS)和一种水溶性淀粉)用于稳定FeS纳米颗粒的有效性,并测试了相应稳定化纳米颗粒在水和土壤中固定Cd^(2+)的性能。使用0.010 wt%CMC、0.025 wt%CMS或0.065 wt%淀粉可获得完全稳定的FeS纳米颗粒(100 mg/L FeS)。CMC-FeS表现出较高的zeta负电位,淀粉-FeS保持中性,而CMS-FeS则表现出中等负电位。CMCFeS对Cd^(2+)的吸附速率最快,吸附容量也最高。当用100 mg/L CMC-FeS或CMS-FeS处理一种含Cd土壤(58.3 mg/kg Cd)后,Cd的TCLP浸出率分别降低了88.4%和68.0%。CMC-FeS和CMS-FeS均可在模型土壤中运移,显示出其在土壤中原位固定Cd^(2+)方面的潜力。土壤穿透曲线实验表明,CMC-FeS在4.5个孔体积,CMS-FeS在约25个孔体积处几乎完全穿透。柱实验结果表明,当用55个孔体积的CMC-FeS或CMS-FeS悬浮液(100 mg/L)处理该含Cd土壤后,Cd的水浸出率分别降低了98.2%和98.0%。根据目标污染物、材料在土壤中的传输特性和材料成本,可找到这三种稳定剂在土壤修复中的最佳应用。

关键词：硫化铁纳米颗粒稳定剂重金属污染物固定土壤修复地下水污染

Magmatic-tectonic response of the South China Craton to the Paleo-Pacific subduction during the Triassic:a new viewpoint based on Well NK-1

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Journal of Oceanology and Limnology 2024年第1期42卷 58-89页

作者： Chan WANG Hao LIU Gang LI Zhen SUN Tingting GONG Li MIAO Xiaowei ZHU Yunying ZHANG Weihai XU Wen YAN Key Laboratory of Ocean and Marginal Sea Geology South China Sea Institute of OceanologyChinese Academy of SciencesGuangzhou 510301China Southern Marine science and Engineering Guangdong Laboratory(Guangzhou) Guangzhou 511458China Key Laboratory of Tectonic Controlled Mineralization and Oil Reservoir of Ministry of Natural Resources Chengdu University of TechnologyChengdu 610059China school of Earth sciences and Resources China University of Geosciences(Beijing)Beijing 100083China College of Earth science Chengdu University of TechnologyChengdu 610059China University of Chinese Academy of sciences Beijing 100049China

The Nansha Block(NB)is one of the blocks separated from the southern margin of the South China Craton(SCC)by the western Pacific subduction,which contains rich information of geodynamic and tectonic *** reveal the essence of western Paleo-Pacific subduction during the Triassic period,Well NK-1 in this block was selected for petrographic study,and published research data from other cooperative teams were compared.A double-cycle pattern of basic to neutral magmatic volcanism was established,and 36 lithological rhythmic layers and representative cryptoexplosive breccia facies and welded tuff bands were *** with a reanalysis of published geochronological data,geochemical elements,and isotope geochemistry,we found that the rock assemblages could be divided into an intermediate-acid dacite(DA)series(SiO_(2)>65%)and basaltic(BA)series(Co<40μg/g),which was formed during the early Late Triassic((218.6±3.2)–(217.9±3.5)Ma).BA exhibits obvious calc-alkaline island-arc magmatic properties:(^(87)Sr/^(86)Sr)_i ratio ranging 0.70377–0.71118(average:0.70645),^(147)Sm/^(144)Nd ratio ranging 0.119–0.193(average:0.168),and chondrite-normalized rare earth element(REE)curves being flat,while DA exhibits remarkable characteristics of subducted island-arc andesitic magma:(^(87)Sr/^(86)Sr)_i ratio(0.70939–0.71129;average:0.71035),εNd(t)value(-6.2–-4.8;average:-5.6)andε_(Hf)(t)value(-2.9–-1.7,average:-2.2)show obvious crust-mantle mixing *** and DA reveal typical characteristics of island-arc magma systems and typeⅡenriched mantle(EM-Ⅱ)*** magma was likely resulted from the process whereby the continental crust frontal accretionary wedge was driven by the Paleo-Pacific slab subduction into the deep and began to melt,resulting in a large amount of melt(fluid)joined the asthenosphere on the side of the continental *** contrast,DA magma was likely resulted from the process whereby the plate front was forced to bend with increasing subducti

关键词： Paleo-Pacific tectonic domain tectonic evolution rift volcanic rock Nansha Block South China Craton

Influence of toxic substances on dynamical behavior of a delayed diffusive predator-prey model

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International Journal of Biomathematics 2024年第2期17卷 177-200页

作者： Honglan Zhu Xuebing Zhang Hao Zhang Business school Huaiyin Institute of Technology Huai'an 223003P.R.China College of Mathematics and Statistics Nanjing University of Information science and Technology Nanjing210044 P.R.China Jiangsu Key Laboratory of Trafic and Transportation Security Huaiyin Institute of Technology Huaian 223003P.R.China

In this paper,we propose and investigate a delayed diffusive predator-prey model affected by toxic *** first study the boundedness and persistence property of the *** analyzing the associated characteristic equation,we obtain the conditions for the existence of steady state bifurcation,Hopf bifurcation and Turing ***,we also study the Hopf bifurcation induced by the ***,our theoretical results are verified by numerical *** numerical observation results are in good agreement with the theoretically predicted *** and numerical simulations indicate that toxic substances have a great impact on the dynamics of the system.

关键词： Toxicant delay diffusion bifurcation spatial pattern

An organic visible-photocatalytic-adsorbence mechanism to high-efficient removal of heavy metal antimony ions

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Materials Reports(Energy) 2024年第3期4卷 49-59页

作者： Linji Yang Ke Sun Tao Liu Ciyuan Huang Libin Zhang Yang Zhou Kai Chen Shangfei Yao Ziyang Zhang Chenfu Zhao Hongxiang Zhu Bingsuo Zou Shuangfei Wang Dongfeng Xue school of Chemistry and Chemical Engineering Guangxi Key Laboratory of Processing for Non-ferrous Metals and Featured MaterialsState Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite StructuresSchool of ResourcesEnvironment and MaterialsGuangxi UniversityNanning 530004China Department of Biochemistry and Cell Biology YouJiang Medical University for NationalitiesBaise CityGuangxi Zhuang Autonomous Region 533000China Shenzhen Institute for Advanced Study University of Electronic Science and Technology of ChinaShenzhen 518110China

Purification of emerging heavy metal antimony contaminated water based on advanced ingenious *** activated modified coconut shell charcoal(CSC)was synthesized and evaluated as a substrate-supported loaded organic photovoltaic material,PM6:PYIT:PM6-b-PYIT,to prepare a surprisingly highly efficient,stable,environmentally friendly,and recyclable organic photocatalyst(CSC–N–P.P.P),which showed excellent effects on the simultaneous removal of Sb(Ⅲ)and Sb(Ⅴ).The removal efficiency of CSC-N-P.P.P on Sb(Ⅲ)and Sb(Ⅴ)reached an amazing 99.9%in quite a short duration of 15 *** the same time,under ppb level and indoor visible light(~1 W m^(2)),it can be treated to meet the drinking water standards set by the European Union and the *** Environmental Protection Agency in 5 min,and even after 25 cycles of recycling,the efficiency is still maintained at about 80%,in addition to the removal of As(Ⅲ),Cd(Ⅱ),Cr(Ⅵ),and Pb(Ⅱ)can also be *** catalyst not only solves the problems of low reuse rate,difficult structure adjustment and high energy consumption of traditional photocatalysts but also has strong applicability and practical *** pioneering approach provides a much-needed solution strategy for removing highly toxic heavy metal antimony pollution from the environment.

关键词： Organic photocatalyst Photocatalysis Purification Indoor visible light

Stochastic seismic response of structures with added viscoelastic dampers modeled by fractional derivative

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Earthquake Engineering and Engineering Vibration 2003年第1期2卷 133-140页

作者：叶昆李黎唐家祥 school of Civil Engineering Huazhong University of Science and TechnologyWuhan 430074China Doctoral Candidate school of Civil Engineering Huazhong University of Science and TechnologyWuhan 430074China Professor

Viscoelastic dampers,as spplementary energy dissipation devices,have been used in building structures un- der seismic excitation or wind *** analytical models have been proposed to describe their dynamic force deform- ation *** these analytieal models,the fractional derivative models have attracted more attention as they can capture the frequency dependence of the material stiffness and damping properties observed from tests very *** this paper,a Fourier-transform-based technique is presented to obtain the fractional unit impulse function and the response of structures with added viscoelastic dampers whose foree-detormation relationship is described by a fractional derivative mod- ***,a Duhamel integral-type expression is suggested for the response analysis of a fractional damped dynamie system subjected to deterministic or random *** numerical verification,it is shown that viscoelastic dampers are ef- fective in reducing structural responses over a wide frequency range,and the proposed schmnes can be used to accurately predict the stochastic seismic response of structures with added viscoelastic dampers described by a Kelvin model wills frac- tional derivative.

关键词： fractional derivative viscoelastic damper stochastic seismic response