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Research progress and development tendency on storage mechanism of multi-principal element alloys for hydrogen/tritium storage

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Rare Metals 2024年第11期 5549-5572页

作者： Yi-Jie Chen Jian-Wei Zhang Can-hui Xu Mu-Hong Li shuang-lin hu Yue-Xia Wang Xiao-Tao Zu Hai-Yan Xiao Xiao-Song Zhou Shu-Ming Peng hua-Hai Shen Institute of Nuclear Physics and Chemistry China Academy of Engineering Physics Key Laboratory of Nuclear Physics and Ion-Beam Application (MOE) Institute of Modern PhysicsDepartment of Nuclear Science and TechnologyFudan University School of Physics University of Electronic Science and Technology of China

Sustainable clean energy is gradually replacing traditional fossil energy sources in important industrial applications and is placing higher demands on the technologies of energy storage and *** development of multi-principal element alloys(MPEAs) offers a new idea for safe solid-state hydrogen storage *** to the unique characteristics of complex components and severe lattice distortion,MPEAs are predicted to have better hydrogen storage performance and more probability for modulation and enhancement,allowing them to meet the requirements of different hydrogen storage *** unique structure characteristic potentially devotes the improvement of thermodynamic and kinetic performance,such as the hydrogen storage capacity and hydrogen adsorption/desorption ***,several important modulation factors originating from components and structures facilitate the understanding of the correlation between hydrogen storage properties and ***,we highlight the correlations of hydrogen storage mechanism,with the degree of lattice distortion,the element variation or segregation and valence electron ***,the development tendency on the hydrogen storage mechanism based on the advanced microscopy and computational approach is ***,the chemically short-range ordered structure in MPEAs is predicted as a potential modification factor of the hydrogen/tritium storage properties.

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Computational study on the half-metallicity in transition metal-oxide-incorporated 2D g-C3N4 nanosheets

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Frontiers of physics 2018年第3期13卷 45-52页

作者： qian Gao hui-Li Wang Li-Fu Zhang shuang-lin hu Zhen-Peng hu School of Physics Nankai Institute of Nuclear Physics and Chemistry China University Tianjin 300071 China Academy of Engineering Physics Mianyang 621900 China

In this study, based on the first-principles calculations, we systematically investigated the electronic and magnetic properties of the transition metal-oxide-incorporated 2D g-C3N4 nanosheet （labeled C3N4- TM-O, TM - Sc-Mn）. The results suggest that the TM-O binds to g-CaN4 nanosheets strongly for all systems. We found that the 2D C3N4-TM-O framework is ferromagnetic for TM = Sc, Ti, V, Cr, while it is antiferromagnetic for TM = Mn. All the ferromagnetic systems exhibit the half-metallic property. Furthermore, Monte Carlo simulations based on the Heisenberg model suggest that the Curie temperatures （To） of the CaN4-TM-O （TM --- Sc, Ti, V, Cr） framework are 169 K, 68 K, 203 K, and 190 K, respectively. Based on Bader charge analysis, we found that the origin of the half-metallicity at Fermi energy can be partially attributed to the transfer of electrons from TM atoms to the g-C3N4 nanosheet. In addition, we found that not only electrons but also holes can induce half-metallicity for 2D g-C3N4 nanosheets, which may help to understand the origin of half-metallicity for graphitic carbon nitride.

关键词： half-metallicity first-principles g-C3N4 Curie-temperature

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Terrain or climate factor dominates vegetation resilience?Evidence from three national parks across different climatic zones in China

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Forest Ecosystems 2024年第4期11卷 526-542页

作者： shuang Liu lingxin Wu Shiyong Zhen Qinxian lin Xisheng hu Jian Li College of Transportation and Civil Engineering Fujian Agriculture and Forestry UniversityFuzhou 350002China College of JunCao Science and Ecology Fujian Agriculture and Forestry UniversityFuzhou 350002China College of Forestry Fujian Agriculture and Forestry UniversityFuzhou 350002China

Vegetation resilience(VR),providing an objective measure of ecosystem health,has received considerable attention,however,there is still limited understanding of whether the dominant factors differ across different climate *** took the three national parks(Hainan Tropical Rainforest National Park,HTR;Wuyishan National Park,WYS;and Northeast Tiger and Leopard National Park,NTL)of China with less human interference as cases,which are distributed in different climatic zones,including tropical,subtropical and temperate monsoon climates,***,we employed the probabilistic decay method to explore the spatio-temporal changes in the VR and their natural driving patterns using Geographically Weighted Regression(GWR)model as *** results revealed that:(1)from 2000 to 2020,the Normalized Difference Vegetation Index(NDVI)of the three national parks fluctuated between 0.800 and 0.960,exhibiting an overall upward trend,with the mean NDVI of NTL(0.923)>HTR(0.899)>WYS(0.823);(2)the positive trend decay time of vegetation exceeded that of negative trend,indicating vegetation gradual recovery of the three national parks since 2012;(3)the VR of HTR was primarily influenced by elevation,aspect,average annual temperature change(AATC),and average annual precipitation change(AAPC);the WYS'VR was mainly affected by elevation,average annual precipitation(AAP),and AAPC;while the terrain factors(elevation and slope)were the main driving factors of VR in NTL;(4)among the main factors influencing the VR changes,the AAPC had the highest proportion in HTR(66.7%),and the AAP occupied the largest area proportion in WYS(80.4%).While in NTL,elevation served as the main driving factor for the VR,encompassing 64.2%of its ***,our findings indicated that precipitation factors were the main driving force for the VR changes in HTR and WYS national parks,while elevation was the main factors that drove the VR in *** research has promoted a deeper understanding of the dri

关键词： National parks Vegetation resilience NDVI Probabilistic decay model Driving factors

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Electron engineering of nickel phosphide for Ni^(δ+) in electrochemical nitrate reduction to ammonia

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Nano Research 2024年第6期17卷 4864-4871页

作者： Jie hu Hao huang Miao Yu shuang Wang Jinping Li College of Environmental Science and Engineering Taiyuan University of TechnologyJinzhong 030600China School of Sustainable Energy Materials and Science Jinhua Advanced Research InstituteJinhua 321000China Shanxi Key Laboratory of Gas Energy Efficient and Clean Utilization Taiyuan University of TechnologyTaiyuan 030024China

The electrochemical reduction of nitrate to ammonia(ENRA)provides an efficient approach to remove nitrate pollution and achieve ammonia production ***,inspired by bio-enzyme in denitrifying bacteria,a carbon-coated nickel phosphide(NiPC)nanosheet derived from metal-organic frameworks(MOFs)is proposed as an efficient catalyst for *** electron engineering,controllable Ni^(δ+)in nickel phosphide is achieved by regulating the degree of phosphating,which enhances its activity for the hydrogenation of *** the result,Niδ+becomes one of dominating factors determining the efficiency of the ENRA reaction in nickel *** optimal NiPC catalyst exhibits impressive property toward ENRA:NH_(4)^(+)Faraday efficiency of 96.68%,NH4+selectivity of 99.04%,and nitrate conversion rate of 90.43%under low nitrate concentration(200 mg·L^(−1)).This work opens a new avenue for the design of next-generation catalysts through electron engineering for ENRA.

关键词： electron engineering transition metal phosphide nitrate reduction ammonia production metal-organic frameworks

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Chiral transmission by an open evolution trajectory in a non-Hermitian system

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Light(Science & Applications) 2024年第4期13卷 628-636页

作者： Xiaoqian Shu Qi Zhong Kai Hong Oubo You Jian Wang Guangwei hu Andrea Alù shuang Zhang Demetrios N.Christodoulides lin Chen Wuhan National Laboratory for Optoelectronics and School of Optical and Electronic Information Huazhong University of Science and TechnologyWuhan 430074China. Zhejiang Lab Hangzhou 311121China. CREOL College of Optics and PhotonicsUniversity of Central FloridaOrlandoFlorida 32816USA. Department of Physics The University of Hong KongHong KongChina. School of Electrical and Electronic Engineering Nanyang Technological University50 Nanyang AvenueSingapore 639798Singapore. Photonics Initiative Advanced Science Research CenterCity University of New YorkNew YorkNY 10031USA. Shenzhen huazhong University of Science and Technology Research Institute Shenzhen 518063China

Exceptional points(EPs),at which two or more eigenvalues and eigenstates of a resonant system coalesce,are associated with non-Hermitian Hamiltonians with gain and/or loss *** encircling of EPs has received significant interest in recent years,as it has been shown to lead to highly nontrivial phenomena,such as chiral transmission in which the final state of the system depends on the encircling ***,chiral transmission for a pair of eigenmodes has been realized by establishing a closed dynamical trajectory in parity-time-(PT-)or anti-PT-symmetric *** chiral transmission of symmetry-broken modes,more accessible in practical photonic integrated circuits,has been realized by establishing a closed trajectory encircling EPs in anti-PTsymmetric systems,the demonstrated transmission efficiency is very low due to path-dependent ***,we demonstrate chiral dynamics in a coupled waveguide system that does not require a closed ***,we explore an open trajectory linking two infinite points having the same asymptotic eigenmodes(not modes in PT-and anti-PT-symmetric systems),demonstrating that this platform enables high-efficiency chiral transmission,with each eigenmode localized in a single *** concept is experimentally implemented in a coupled silicon waveguide system at telecommunication *** work provides a new evolution strategy for chiral dynamics with superior performance,laying the foundation for the development of practical chiral-transmission devices.

关键词： chiral system symmetric

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Molecular crowding electrolytes for stabilizing Zn metal anode in rechargeable aqueous batteries

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Chinese Chemical Letters 2024年第7期35卷 445-451页

作者： Li lin Song-lin Tian Zhen-Yu hu Yu Zhang Li-Min Chang Jia-Jun Wang Wan-Qiang Liu Qing-shuang Wang Fang Wang School of Materials Science and Engineering Changchun University of Science and TechnologyChangchun 130022China School of Life Science and Technology Changchun University of Science and TechnologyChangchun 130022China Key Laboratory of Preparation and Applications of Environmental Friendly Materials of the Ministry of Education Jilin Normal UniversityChangchun 130103China Zhongshan Institute of Changchun University of Science and Technology Zhongshan 528437China

A solid electrolyte interphase(SEI)with a robust mechanical property and a high ionic conductivity is imperative for high-performance zinc metal ***,it is difficult to form such a SEI directly from an *** this work,a molecular crowding effect is based on the introduction of Zn(OTF)_(2)and Zn(ClO_(4))_(2)to 2 mol/L ZnSO_(4)*** and experiments indicate that the Zn(OTF)_(2)and Zn(ClO_(4))_(2)not only create a molecularly crowded electrolyte environment to promote the interaction of Zn^(2+)and OTF^(-),but also participate in the reduction to construct a robust and high ionic-conductive SEI,thus promoting metal zinc deposition to the(002)crystal *** this molecular crowding electrolyte,a high current density of 1 mA/cm^(2)can be obtained by assembling symmetric batteries with Zn as the anode for over 1000 *** in a temperature environment of-10℃,a current density of 1 mA/cm^(2)can be obtained by assembling symmetric batteries with Zn for over 200 ***//Bi_(2)S_(3)/VS4@C cells achieve a CE rate of up to 99.81%over 1000 ***,the utilization of a molecular crowding electrolyte is deemed a highly effective approach to fabricating a sophisticated SEI for a zinc anode.

关键词： Zinc ion batteries Anode Electrolyte Solid electrolyte interphase Molecular crowding effect

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A Knowledge-enhanced Two-stage Generative Framework for Medical Dialogue Information Extraction

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Machine Intelligence Research 2024年第1期21卷 153-168页

作者： Zefa hu Ziyi Ni Jing Shi shuang Xu Bo Xu School of Artificial Intelligence University of Chinese Academy of SciencesBeijing 100049China Institute of Automation Chinese Academy of SciencesBeijing 100190China

This paper focuses on term-status pair extraction from medical dialogues(MD-TSPE),which is essential in diagnosis dia-logue systems and the automatic scribe of electronic medical records(EMRs).In the past few years,works on MD-TSPE have attracted increasing research attention,especially after the remarkable progress made by generative ***,these generative methods output a whole sequence consisting of term-status pairs in one stage and ignore integrating prior knowledge,which demands a deeper un-derstanding to model the relationship between terms and infer the status of each *** paper presents a knowledge-enhanced two-stage generative framework(KTGF)to address the above *** task-specific prompts,we employ a single model to com-plete the MD-TSPE through two phases in a unified generative form:We generate all terms the first and then generate the status of each generated *** this way,the relationship between terms can be learned more effectively from the sequence containing only terms in the first phase,and our designed knowledge-enhanced prompt in the second phase can leverage the category and status candidates of the generated term for status ***,our proposed special status"not mentioned"makes more terms available and en-riches the training data in the second phase,which is critical in the low-resource *** experiments on the Chunyu and CMDD datasets show that the proposed method achieves superior results compared to the state-of-the-art models in the full training and low-re-sourcesettings.

关键词： Medical dialogue understanding information extraction text generation knowledge-enhanced prompt low-resource setting dataaugmentation

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Unbound^(28)O,the heaviest oxygen isotope observed:a cutting-edge probe for testing nuclear models

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Nuclear Science and Techniques 2024年第2期35卷 1-2页

作者： Jian-Guo Li Bai-Shan hu shuang Zhang Fu-Rong Xu School of Physics and State Key Laboratory of Nuclear Physics and TechnologyPeking UniversityBeijing 100871China Institute of Modern Physics Chinese Academy of SciencesLanzhou 730000China Southern Center for Nuclear-Science Theory(SCNT) Institute of Modern PhysicsChinese Academy of SciencesHuizhou 516000China

The beyond-dripline oxygen isotopes^(27,28)O were recently observed at RIKEN,and were found to be unbound decaying into^(24)O by emitting *** unbound feature of the heaviest oxygen isotope,^(28)O,provides an excellent test for stateof-the-art nuclear *** atomic nucleus is a self-organized quantum manybody system comprising specific numbers of protons Z and neutrons N.

关键词： testing quantum system

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Granular collapse in fluids:Dynamics and flow regime identification

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Particuology 2024年第9期92卷 30-41页

作者： hu Tang Bisong lin Dengming Wang Department of Mechanics and Engineering Science School of Civil Engineering and MechanicsKey Laboratory of Mechanics on Disaster and Environment in Western China of Ministry of EducationLanzhou UniversityLanzhou730000China

The collapse of granular material in fluids is a prevalent phenomenon in both natural and industrial processes,displaying a notable sensitivity to initial configuration of the *** study is specifically oriented towards falling process of collapsing material under various fluid conditions,employing the computational fluid dynamics-discrete element method(CFD-DEM)to primarily investigate the dynamics and scaling laws of deposit morphology of collapsed *** a comprehensive analysis of particle sedimentation in fluids,we introduce a refined inertial characteristic time for granular collapse within the inertial ***,we propose modifications to conventional fluid-particle density ratio and Reynolds number,aiming to enhance the accuracy of depicting collapse dynamics and identifying flow regimes across diverse column heights and fluid ***,we construct a phase diagram of flow regimes using modified dimensionless numbers,emphasizing the role of column height in transition between viscous and inertial *** parameters demonstrate enhanced relevance in governing the collapse of immersed granular columns,thereby contributing to a more nuanced understanding of fluid-particle interations in dense granular flows under different regimes.

关键词： Immersed granular material Collapse Dynamic Flow regime Computational fluid dynamics-discrete element method

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First-principles Study of Field Emissions from Natrium-Encapsulated Boron-Nitride Nanotube in a Perpendicular Geometry

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Chinese Journal of Chemical Physics 2010年第5期23卷 553-557,621页

作者：高强胡双林李斌中国科学技术大学合肥微尺度物质科学国家实验室合肥230026

The field emission from pure boron-nitride nanotube and boron-nitride nanotube encapsu- lated with natrium atoms with the electric field perpendicular to the axis of nanotubes is simulated based on a self-consistent method using the density-functional formalism. It has been found that the nearly-free-electron states in boron-nitride nanotube would perform very well in field emissions after natrium atom encapsulation. The characters of total energy distribution curves are analyzed to seek the function of nearly-free-electron states in the field emission, with special attention to response of the emission current to the external electric field. At last, the perpendicular emission geometry is found to possess a very sensitive response degree which is supposed to be related to specific expansion orientation of the nearly-free-electron states in this system.

关键词： Field emission Boron-nitride nanotube Nearly-free-electron state Response

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