检索结果-南通市图书馆

Machine learning molecular dynamics simulation identifying weakly negative effect of polyanion rotation on Li-ion migration

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

npj Computational Materials 2023年第1期9卷 1276-1286页

作者： Zhenming Xu Huiyu Duan zhi Dou Mingbo zheng Yixi Lin Yinghui Xia Haitao zhao Yongyao Xia College of Materials Science and Technology Nanjing University of Aeronautics and Astronautics210016 NanjingChina Center for Intelligent and Biomimetic Systems Shenzhen Institutes of Advanced Technology(SIAT)Chinese Academy of Sciences(CAS)518055 ShenzhenChina Department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Institute of New EnergyiChEm(Collaborative Innovation Center of Chemistry for Energy Materials)Fudan University200433 ShanghaiChina

Understanding the physical picture of Li ion transport in the current ionic conductors is quite essential to further develop lithium superionic conductors for solid-state *** traditional practice of directly extrapolating room temperature ion diffusion properties from the high-temperature(>600 K)ab initio molecular dynamics simulations(AIMD)simulations by the Arrhenius assumption unavoidably cause some ***,the ultralong-time molecular dynamics simulation based on the machine-learning interatomic potentials(MLMD)is a more suitable tool to probe into ion diffusion events at low temperatures and simultaneously keeps the accuracy at the density functional theory ***,by the low-temperature MLMD simulations,the non-linear Arrhenius behavior of Li ion was found for Li3ErCl6,which is the main reason for the traditional AIMD simulation overestimating its ionic *** 1μs MLMD simulations capture polyanion rotation events in Li_(7)P_(3)S_(11) at room temperature,in which four[PS_(4)]^(3−)tetrahedra belonging to a part of the longer-chain[P_(2)S_(7)]4−group are noticed with remarkable rotational motions,while the isolated group[PS_(4)]^(3−)does not ***,no polyanion rotation is observed in Li10GeP_(2)S12,β-Li3PS_(4),Li3ErCl6,and Li3YBr6 at 300 K during 1μs simulation ***,the ultralong-time MLMD simulations demonstrate that not only there is no paddle-wheel effect in the crystalline Li_(7)P_(3)S_(11) at room temperature,but also the rotational[PS_(4)]^(3−)polyanion groups have weakly negative impacts on the overall Li ion *** ultralong-time MLMD simulations deepen our understanding of the relationship between the polyanion rotation and cation diffusion in ionic conductors at room environments.

关键词： rotation dynamics effect

Two-component Brownian coagulation: Monte Carlo simulation and process characterization

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Particuology 2011年第4期9卷 414-423页

作者： Haibo zhao Chuguang zheng State Key Laboratory of Coal Combustion Huazhong University of Science and Technology Wuhan 430074 Hubei China

The compositional distribution within aggregates of a given size is essential to the functionality of com- posite aggregates that are usually enlarged by rapid Brownian coagulation, There is no analytical solution for the process of such two-component systems, Monte Carlo method is an effective numerical approach for two-component coagulation, In this paper, the differentially weighted Monte Carlo method is used to investigate two-component Brownian coagulation, respectively, in the continuum regime, the free-molecular regime and the transition regime. It is found that （1） for Brownian coagulation in the continuum regime and in the free-molecular regime, the mono-variate compositional distribution, i.e., the number density distribution function of one component amount （in the form of volume of the component in aggregates） satisfies self-preserving form the same as particle size distribution in mono-component Brownian coagulation; （2） however, for Brownian coagulation in the transition regime the mono-variate compositional distribution cannot reach self-similarity; and （3） the bivariate compositional distribution, i.e., the combined number density distribution function of two component amounts in the three regimes satisfies a semi self-preserving form. Moreover, other new features inherent to aggregative mixing are also demonstrated; e.g., the degree of mixing between components, which is largely controlled by the initial compositional mass fraction, improves as aggregate size increases.

关键词： Multivariate population balance Aggregation Stochastic method Mixing Self-preserving

WEB SERVICES COMPOSING BY MULTIAGENT NEGOTIATION

在线全文

学校读者我要写书评

暂无评论

Journal of Systems Science & Complexity 2008年第4期21卷 597-608页

作者： Jian TANG Liwei zheng zhi JIN Institute of Mathematics Academy of Mathematics and Systems Science Chinese Academy of Sciences Beijing 100190 China Graduate School of the Chinese Academy of Sciences Beijing 100049 China. Institute of Mathematics Academy of Mathematics and Systems Science Chinese Academy of Sciences Beijing 100190 China Institute of Computing Technology Beijing 100190 China.

Composing web services is gained daily attention in Service Oriented Computing. It includes the dynamic discovery, interaction and coordination of agent-based semantic web services. The authors first follow Function Ontology and Automated Mechanism Design for service agents aggregating. Then the problem is formulated but it is ineffective to solve it from the traditional global view. Because the complexity is NP-complete and it is dii^cult or even impossible to get some personal information. This paper provides a multi-agent negotiation idea in which each participant negotiates under the condition of its reservation payoff being satisfied. Numerical experiment is given and well evaluates the negotiation.

关键词： Feasible coalition multi-agent systems negotiation web services composing.

Analytical solution for tunnelling-induced response of an overlying pipeline considering gap formation

在线全文

学校读者我要写书评

暂无评论

Underground Space 2024年第2期15卷 298-311页

作者： Cungang Lin Junjie zheng Yiwen Ye Farrokh Nadim Zhongqiang Liu Chenyang zhao Yu Chen zhi Ding Guangdong Research Center for Underground Space Exploitation Technology School of Civil EngineeringSun Yat-sen UniversityGuangzhou 510275China Guangdong Key Laboratory of Marine Civil Engineering School of Civil EngineeringSun Yat-sen UniversityGuangzhou 510275China State Key Laboratory for Tunnel Engineering Ministry of EducationGuangzhou 510275China Southern Marine Science and Engineering Guangdong Laboratory(Zhuhai) Zhuhai 519082China School of Civil Engineering Wuhan UniversityWuhan 430072China Guangdong Road and Bridge Construction Development Co. Ltd.Guangzhou 510660China Norwegian Geotechnical Institute Oslo 0806Norway Key Laboratory of Safe Construction and Intelligent Maintenance for Urban Shield Tunnels of Zhejiang Province Hangzhou 310015China

Soil-pipeline separation due to tunnelling has been certainly substantiated in previous model ***,this phenomenon has seldom been considered in current analytical *** study formulates a tensionless Winkler solution that could make allowance for gap formation in soil-pipeline interaction *** solution is validated by comparisons with existing experimental measurements and two recognized analytical ***,its advantage over an existing Winkler solution is *** parametric studies reveal that the effects of gap formation on the response of a pipeline rely largely on the tunnel volume loss and the pipeline’s bending stiffness and burial *** general,a pipeline’s bending moments and subgrade reaction forces are more susceptible than its deflections to the gap formation.

关键词： Soil-pipeline interaction Tunnelling Tensionless Winkler model Ground settlement Analytical solution Gap formation

Multi-stage Co-planning Model for Power Distribution System and Hydrogen Energy System Under Uncertainties

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Journal of Modern Power Systems and Clean Energy 2023年第1期11卷 80-93页

作者： Qirun Sun zhi Wu Wei Gu Pengxiang Liu Jingxuan Wang Yuping Lu Shu zheng Jingtao zhao School of Electrical Engineering Southeast UniversityNanjing 210096China NARI Technology Development Co.Ltd NanjingChina

The increased deployment of electricity-based hydrogen production strengthens the coupling of power distribution system(PDS)and hydrogen energy system(HES).Considering that power to hydrogen(PtH)has great potential to facilitate the usage of renewable energy sources(RESs),the coordination of PDS and HES is important for planning purposes under high RES *** this end,this paper proposes a multi-stage co-planning model for the PDS and *** the PDS,investment decisions on network assets and RES are optimized to supply the growing electric load and *** the HES,capacities of PtHs and hydrogen storages(HSs)are optimally determined to satisfy hydrogen load considering the hydrogen production,tube trailer transportation,and storage *** overall planning problem is formulated as a multistage stochastic optimization model,in which the investment decisions are sequentially made as the uncertainties of electric and hydrogen load growth states are revealed gradually over *** studies validate that the proposed co-planning model can reduce the total planning cost,promote RES consumption,and obtain more flexible decisions under long-term load growth uncertainties.

关键词： Power distribution system vehicle-based hydrogen energy system co-planning model multi-stage stochastic programming uncertainty

High mobility organic semiconductors for field-effect transistors

在线全文

学校读者我要写书评

暂无评论

Science China Chemistry 2015年第6期58卷 947-968页

作者： Xike Gao zheng zhao Key Laboratory of Synthetic and Self-Assembly Chemistry for Organic Functional Molecules Shanghai Institute of Organic Chemistry Chinese Academy of Sciences

Organic field-effect transistors(OFETs) are attracting more and more attention due to their potential applications in low-cost, large-area and flexible electronic products. Organic semiconductors(OSCs) are the key components of OFETs and basically determine the device performance. The past five years have witnessed great progress of OSCs. OSCs used for OFETs have made rapid progress, with field-effect mobility much larger than that of amorphous silicon(0.5?1.0 cm2/(V s)) and of up to 10 cm2/(V s) or even higher. In this review, we demonstrate the latest progress of OSCs for OFETs, where more than 50 representative OSCs are highlighted and analyzed to give some valuable insights for this important but challenging field.

关键词： organic semiconductor organic field-effect transistor high mobility organic electronics design and synthesis

New nitinol endovascular stent-graft system for abdominal aortic aneurysm with finite element analysis and experimental verification

在线全文

学校读者我要写书评

暂无评论

Rare Metals 2019年第6期38卷 495-502页

作者： Xiao-Chen Zhou Fan Yang Xiao-Yan Gong Ming zhao Yu-Feng zheng zhi-Li Sun Department of Materials Science and Engineering College of EngineeringPeking UniversityBeijing 100871China Beijing Percutek Therapeutics Co. Ltd.Beijing 102600China Suzhou Innomed Medical Device Co. Ltd.Suzhou 215123China Schlumberger Technology Corporation HoustonTX 77054USA State Key Laboratory for Turbulence and Complex System College of EngineeringPeking UniversityBeijing 100871China

Abdominal aortic aneurysm(AAA) is one of the most common and catastrophic manifestations of the acute aortic syndrome that can be treated with endovascular aneurysm repair(EVAR) which requires a specially designed stent-graft *** this work, a self-expanding nickel–titanium(nitinol) stent-graft system is aiming at AAA using finite element analysis(FEA) methods to analyze both fatigue behaviors and radial *** on the systematic analysis of the parametric variations, a final stent-graft system was developed by the selection and arrangement of the individual stent components, targeting an optimal performance for the treatment of *** tests, animal tests and clinical trials were carried out to confirm the *** animal trials and clinical trials showed comparable curative effects with Medtronic Endurant stent-graft(SG) systems.

关键词： Nitinol Stent-graft system Abdominal aortic aneurysm Fatigue safety factor Radial force Finite element analysis

Stem cell therapy: A promising treatment for COVID-19

在线全文

学校读者我要写书评

暂无评论

World Journal of Clinical Cases 2021年第36期9卷 11148-11155页

作者： zhi-Xue zheng Department of General Surgery Beijing Jishuitan HospitalBeijing 100035China

Novel coronavirus disease 2019(COVID-19)caused by severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)has become a global ***-2 is an RNA virus and has a glycosylated spike(S)protein used for genome ***-19 can lead to a cytokine storm and patients usually have early respiratory signs and further secondary infections,which can be ***-19 has entered an emergency phase,but there are still no specific effective drugs for this *** stem cells(MSCs)are multipotent stromal cells,which cause antiapoptosis and can repair damaged epithelial *** clinical trials have proved that MSC therapy could be a potential feasible therapy for COVID-19 patients,especially those with acute respiratory distress syndrome,without serious adverse events or ***,more studies are needed in the future,in order to confirm the effect of this therapy.

关键词： COVID-19 SARS-CoV-2 Mesenchymal stem cells Pandemic Stem cell therapy

Measuring the anisotropies in astrophysical and cosmological gravitational-wave backgrounds with Taiji and LISA networks

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Science China(Physics,Mechanics & Astronomy) 2024年第12期67卷 61-69页

作者： zhi-Chao zhao Sai Wang Department of Applied Physics College of ScienceChina Agricultural UniversityBeijing 100083China Theoretical Physics Division Institute of High Energy PhysicsChinese Academy of SciencesBeijing 00049China

We investigate the capabilities of space-based gravitational-wave detector networks,specifically Taiji and LISA,to measure the anisotropies in stochastic gravitational-wave background(SGWB),which are characterized by the angular power *** find that a detector network can improve the measurement precision of anisotropies by at most fourteen orders of magnitude,depending on the angular *** doing so,we can enhance our understanding of the physical origins of SGWB,both in astrophysical and cosmological *** assess the prospects of the detector networks for measuring the parameters of angular power *** further find an inevitable effect of cosmic variance,which can be suppressed by a better angular resolution,strengthening the importance of configuring detector *** findings also suggest a potential detection of the kinematic dipole due to Doppler boosting of SGWB.

关键词： stochastic gravitational-wave background anisotropy space-based detector network