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High-throughput screening of carbon-supported single metal atom catalysts for oxygen reduction reaction

Nano Research 2022年第2期15卷 1054-1060页

作者： yiran Wang Riming Hu Yongcheng Li Fuhe Wang Jiaxiang Shang Jianglan Shui School of Materials Science and Engineering Beihang UniversityBeijing 100191China Qinghai Provincial Key Laboratory of New Light Alloys Qinghai Provincial Engineering Research Center of High-Performance Light Metal Alloys and FormingQinghai UniversityXining 810016China Center for Condensed Matter Physics Department of Physics Capital Normal UniversityBeijing 100048China

Carbon-supported transition metal single atoms are promising oxygen reduction reaction(ORR)*** there are many types of carbon supports and transition metals,the accurate prediction of the components with high activity through theoretical calculations can greatly save experimental time and *** this work,the ORR catalytic properties of 180 types single-atom catalysts(SACs)composed of the eight representative carbon-based substrates(graphdiyne,C_(2)N,C_(3)N_(4),phthalocyanine,C-coordination graphene,N-coordination graphene,covalent organic frameworks and metal-organic frameworks)and 3d,4d,and 5d transition metal elements are investigated by density functional theory(DFT).The adsorption free energy of OH^(*) is proved a universal descriptor capable of accurately prediction of the ORR catalytic *** is found that the oxygen reduction reaction overpotentials of all the researched SACs follow one volcano shape very well with the adsorption free energy of OH^(*).Phthalocyanine,N-coordination graphene and metal-organic frameworks stand out as the promising supports for single metal atom due to the relatively lower ***,the Co-doped metal-organic frameworks,Ir-doped phthalocyanine,Co-doped N-coordination graphene,Co-doped graphdiyne and Rh-doped phthalocyanine show extremely low overpotentials comparable to that of Pt(111).The study provides a guideline for design and selection of carbon-supported SACs toward oxygen reduction reaction.

关键词： oxygen reduction reaction carbon-supported catalysts high throughput screening density functional theory single-atom catalysts

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building a model-based personalised recommendation approach for tourist attractions from geotagged social media data

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International Journal of Digital Earth 2019年第6期12卷 661-678页

作者： Xiaoyu Sun Zhou Huang Xia Peng yiran Chen Yu Liu Institute of Remote Sensing and Geographical Information Systems Peking UniversityBeijingPeople’s Republic of China Beijing Key Lab of Spatial Information Integration&Its Applications Peking UniversityBeijingPeople’s Republic of China Collaborative Innovation Centre of eTourism Tourism CollegeBeijing Union UniversityBeijingPeople’s Republic of China

When travelling,people are accustomed to taking and uploading photos on social media websites,which has led to the accumulation of huge numbers of geotagged *** with multisource information(***,transportation,or textual information),these geotagged photos could help us in constructing user preference profiles at a high level of ***,using these geotagged photos,we built a personalised recommendation system to provide attraction recommendations that match a user’s ***,we retrieved a geotagged photo collection from the public API for Flickr(***)and fetched a large amount of other contextual information to rebuild a user’s travel *** then created a model-based recommendation method with a two-stage architecture that consists of candidate generation(the matching process)and candidate *** the matching process,we used a support vector machine model that was modified for multiclass classification to generate the candidate *** addition,we used a gradient boosting regression tree to score each candidate and rerank the ***,we evaluated our recommendation results with respect to accuracy and ranking *** with widely used memory-based methods,our proposed method performs significantly better in the cold-start situation and when mining‘long-tail’data.

关键词： Recommendation system geotagged photos social media model-based approach support vector machine(SVM) gradient boosting regression tree(GBRT)

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UAV Communication Channel Measurement, Modeling, and Application

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Journal of Communications and Information Networks 2019年第4期4卷 32-43页

作者： Xiang Cheng yiran Li Lin Bai State Key Laboratory of Advanced Optical Communication Systems and Networks Department of ElectronicsSchool of Electronics Engineering and Computer SciencePeking UniversityBeijing 100871China Shenzhen Research Institute of Big Data Shenzhen 518000China School of Cyber Science and Technology Beihang UniversityBeijing 100191China

As unmanned aerial vehicles(UAV)deploy-ment is shifting from military to civilian sectors,and in particular as a means of facilitating more flexible and versatile wireless communications,the UAV channels that were previously not well understood are attracting increasing research and *** the key component facilitating the UAV-aided communications,UAV channel characteristics and modeling are of critical importance to the designed UAV system to achieve satisfactory *** this article,we will provide a comprehensive overview and the future perspective of envisioned UAV communication system benefits,the existing and needed UAV channel measurements and modeling approaches,together with the new viewpoint of UAV channel applications in different communication and networking *** existing work and future directions are extensively covered.

关键词： UAV channel measurements modeling application future challenges

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Converting an O-vacancy-rich oxide into a multifunctional separator modifier for long-lifespan lithium metal batteries

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Journal of Energy Chemistry 2024年第10期97卷 371-378,I0007页

作者： Juntao Si Xiaoying Li Yixuan Li Kuo Cao yiran Zhu Chunhua Chen CAS Key Laboratory of Precision and Intelligent Chemistry Department of Materials Science and EngineeringUniversity of Science and Technology of ChinaHefei 230026AnhuiChina

The lithium metal anode is hailed as the desired "holy grail" for the forthcoming generation of highenergy-density batteries,given its astounding theoretical capacity and low ***,the formation and growth of dendrites seriously compromise battery life and ***,an yttriastabilized bismuth oxide(YSB) layer is fabricated on the polypropylene(PP) separator,where YSB reacts with Li anode in-situ in the cell to form a multi-component composite interlayer consisting of Li_(3)Bi,Li_(2)O,and Y_(2)O_(3).The interlayer can function not only as a redistributor to regulate Li^(+) distribution but also as an anion adsorber to increase the Li^(+) transference number from 0.37 to 0.79 for suppressing dendrite nucleation and ***,compared with the cell with a baseline separator,those with modified separators exhibit prolonged lifespan in both Li/Li symmetrical cells and Li/Cu ***,the full cells coupled with ultrahigh-loading LiFePO_(4) display an excellent cycling performance of 1700 cycles with a high capacity retention of ~80% at 1 C,exhibiting great potential for practical *** work provides a feasible and effective new strategy for separator modification towards building a much-anticipated dendrite-free Li anode and realizing long-lifespan lithium metal batteries.

关键词： Lithium metal battery Separator Dendrite-free Multifunctional interlayer Conversion-alloying reaction

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Role of Microphysical Parameterizations with Droplet Relative Dispersion in IAP AGCM 4.1

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Advances in Atmospheric Sciences 2018年第2期35卷 248-259页

作者： Xiaoning XIE He ZHANG Xiaodong LIU yiran PENG Yangang LIU State Key Laboratory of Loess and Quaternary Geology Institute of Earth Environment Chinese Academy of Sciences Xi 'an 710061 China International Center for Climate and Environment Sciences Institute of Atmospheric Physics Chinese Academy of Sciences Beijing 100029 China University of Chinese Academy of Sciences Beijing 100049 China Ministry of Education Key Laboratory for Earth System Modeling Center for Earth System Science and Joint Center for Global Change Studies (JCGCS) Tsinghua University Beijing 100084 China Environmental and Climate Sciences Department Brookhaven National Laboratory Upton New York 11973-5000 USA

Previous studies have shown that accurate descriptions of the cloud droplet effective radius （Re） and the autoconversion process of cloud droplets to raindrops （At） can effectively improve simulated clouds and surface precipitation, and reduce the uncertainty of aerosol indirect effects in GCMs. In this paper, we implement cloud microphysical schemes including two-moment Ar and Re considering relative dispersion of the cloud droplet size distribution into version 4.1 of the Institute of Atmospheric Physics＇s atmospheric GCM （IAP AGCM 4.1）, which is the atmospheric component of the Chinese Academy of Sciences＇ Earth System Model. Analysis of the effects of different schemes shows that the newly implemented schemes can improve both the simulated shortwave and longwave cloud radiative forcings, as compared to the standard scheme, in lAP AGCM 4.1. The new schemes also effectively enhance the large-scale precipitation, especially over low latitudes, although the influences of total precipitation are insignificant for different schemes. Further studies show that similar results can be found with the Community Atmosphere Model, version 5.1.

关键词： relative dispersion effective radius autoconversion process global climate models

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Simulation of the Interface between the Indian Summer Monsoon and the East Asian Summer Monsoon:Intercomparison between MPI-ESM and ECHAM5/MPI-OM

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Advances in Atmospheric Sciences 2016年第3期33卷 294-308页

作者： yiran GUO Jie CAO Hui LI Jian WANG Yuchao DING Department of Atmospheric Sciences Yunnan UniversityKunming 650091 Yunnan Key Laboratory of International Rivers and Transboundary Eco-security Kunming 650091

The time-mean and interannual variability of the interface between the Indian summer monsoon and East Asian summer monsoon （IIE） was assessed using both Max-Planck-Institute Earth System Model （MPI-ESM） and ECHAM5/MPI-OM and by calculating diagnostics and skill metrics around the IIE area. Progress has been made in modeling these aspects by moving from ECHAM5/MPI-OM to MPI-ESM. MPI-ESM is more skillful than ECHAM5/MPI-OM in modeling the time-mean state and the extreme condition of the IIE. Though simulation of the interannual variability significantly deviates to some extent in both MPI-ESM and ECHAM5/MPI-OM, MPI-ESM-LR shows better skill in reflecting the relationship among sea surface temperature anomalies over the Pacific, circulation anomalies over East Asia, and liE variability. The temperature becomes warmer under the RCP2.6 and RCP8.5 scenarios in comparison with the historical experiments, but the position of the liE and the key physical process in relation to the IIE variability almost remains the same, suggesting that the Indian summer monsoon tends to change in phase with the East Asian summer monsoon under each RCP scenario. The relatively realistic description of the physical processes modulated by terrain in MPI-ESM may be one of the most important reasons why MPI-ESM performs better in simulating the liE.

关键词： Asian summer monsoon IIE MPI-ESM ECHAM5/MPI-OM intercomparison

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A Survey of Accelerator Architectures for Deep Neural Networks

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Engineering 2020年第3期6卷 264-274页

作者： yiran Chen Yuan Xie Linghao Song Fan Chen Tianqi Tang Department of Electrical and Computer Engineering Duke UniversityDurhamNC 27708USA Department of Electrical and Computer Engineering University of CaliforniaSanta BarbaraCA 93106-9560USA

Recently,due to the availability of big data and the rapid growth of computing power,artificial intelligence(AI)has regained tremendous attention and *** learning(ML)approaches have been successfully applied to solve many problems in academia and in *** the explosion of big data applications is driving the development of ML,it also imposes severe challenges of data processing speed and scalability on conventional computer *** platforms that are dedicatedly designed for AI applications have been considered,ranging from a complement to von Neumann platforms to a“must-have”and stand-alone technical *** platforms,which belong to a larger category named“domain-specific computing,”focus on specific customization for *** this article,we focus on summarizing the recent advances in accelerator designs for deep neural networks(DNNs)-that is,DNN *** discuss various architectures that support DNN executions in terms of computing units,dataflow optimization,targeted network topologies,architectures on emerging technologies,and accelerators for emerging *** also provide our visions on the future trend of AI chip designs.

关键词： Deep neural network Domain-specific architecture Accelerator

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Propagating Characteristic of Premixed Methane-Oxygen Deflagration in the Coal Mine Lane Including a Refuge Chamber

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Journal of Beijing Institute of Technology 2018年第1期27卷 109-117页

作者： Huanjuan Zhao yiran Yan Yinghua Zhang Yukun Gao Mine Emergency Technology Research Center(University of Science and Technology Beijing) State Administration of Production Safety Supervision and Administration School of Civil and Resources Engineering University of Science and Technology Beijing Beijing 100083 China State Key Laboratory of High-Efficient Mining and Safety of Metal Mines ( University of Science and Technology Beijing) Ministry of Education Beijing 100083 China

In order to investigate detonation propagation and distribution problems of premixed CH_4 ＋ 2O_2 mixture around a concrete structure such as a refuge chamber,detonation experiments in one small size tube were conducted. A simulation method was developed to obtain the flow field load distribution in the coal mine lane and pressure load of each part for the refuge chamber. Firstly,a physical model of a full-size explosiontest lane was established,which included the refuge chamber. With the calculations of the exact initial detonation pressure,the propagation characteristics of CH_4 ＋ 2O_2 premixed mixture detonation in the lane was simulated. Simulation results of various parts from AUTODYN are recorded,and the shock wave arrival time and the pressure peak can be observed from the detonation pressure-time curve over the changing propagation distance. So curve differences in different locations cannot be ignored. Then by detonation experiments in the small size tube,detonation pressure-time curves and velocity were obtained. Finally the simulation waveform of variation curve agreed well with the experimental results,which validated the detonation simulation method. The difference between shockwaves of the two sensors confirmed that detonation wave changed along with distance and time. These results should be taken into serious consideration for the detonation progration and distribution problem in future researches.

关键词： mechanics of explosion detonation experiments physical model of the coal mine lane premixed methane-oxygen explosion refuge chamber

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Natural infectious behavior of the urediniospores of Melampsora larici-populina on poplar leaves

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Journal of Forestry Research 2015年第1期26卷 225-231页

作者： Zhibing Wan yiran Li Min Liu Yingnan Chen Tongming Yin The Southern Modern Forestry Collaborative Innovation Center Nanjing Forestry University School of Life and Environment Science Huangshan University

The uredinial stage in the life cycle of Melampsora larici-populina on poplar leaves is the most important pathogenic phase. We captured partial phases of uredinial infection in the wild, aiming to reconstruct the process of uredinial ontogeny by using scanning and transmission electron microscope. At the initial infection stage, germ tubes germinated from the echinulate urediniospores. Germ tubes were frequently seen to merge with the leaf surface and cuticle breakage was observed, indicating direct hyphal penetration. Stomata penetration occurred commonly, sometimes with more than one germ tube penetrating the same stoma. Melampsora larici-populina did not form appressoria in the infection process,implying that infectious behavior of this pathogen may differ from the other rust pathogens. In general, germ tubes branched randomly, and no distinct evidence indicated that stoma could induce or orient germ tube branches. However, oriented germ tube growth has been occasionally observed in other studies. The urediniospores collapsed and finally wizened when they became nutrient stressed. At the last stage of infection, the uredinia erupted from the leaf epidermis and appeared as orange pustules on the leaf surface.

关键词： Populus deltoides Melampsora laricipopulina Germ tube Infectious behavior

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Discovery of orthorhombic perovskite oxides with low thermal conductivity by first-principles calculations

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Journal of Advanced Ceramics 2022年第10期11卷 1596-1603页

作者： Yuchen LIU Kaili CHU Yu ZHOU yiran LI Wenxian LI Bin LIU Institute for Advanced Ceramics School of Materials Science and EngineeringHarbin Institute of TechnologyHarbin 150080China School of Materials Science and Engineering Shanghai UniversityShanghai 200444China School of Materials Science and Engineering University of New South WalesSydney 2052Australia

Orthorhombic perovskite oxides are studied by high-throughput first-principles calculations to explore new thermal barrier coating(TBC)materials with low thermal *** mechanical and thermal properties are predicted for 160 orthorhombic perovskite *** average atomic volume is identified as a possible predictor of the thermal conductivity for the perovskite oxides,as it has a good correlation with the thermal *** compounds,i.e.,LaTmO_(3),LaErO_(3),LaHoO_(3),SrCeO_(3),and SrPrO_(3),having thermal conductivities under 1 W·m^(-1)·K^(-1) and good damage tolerance,are proposed as novel TBC *** obtained data are expected to inspire the design of perovskite oxide-based TBC materials and also support their future functionality investigations.

关键词： first-principles calculations perovskite oxide thermal conductivity mechanical property

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