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Coordination environments build up and tune a superior synergistic “genome” toward novel trifunctional (TM-N_(x)O_(4−x))@g- C_(16)N_(3)-H_(3): High-throughput inspection of ultra-high activity for water splitting and oxygen reduction reactions

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Nano Research 2024年第4期17卷 2337-2351页

作者： Chunyao Fang Xian Wang Qiang Zhang Xihang Zhang Chenglong Shi Jingcheng Xu Mengyu Yang department of Physics University of Shanghai for Science and TechnologyShanghai 200093China School of Materials and Chemistry University of Shanghai for Science and TechnologyShanghai 200093China

Emerging as a prominent area of focus in energy conversion and storage technologies,the development of highly active metal-based single-atom catalysts(SACs)holds great signiﬁcance in searching alternatives to replace precious metals toward the efficient,stable,and low-cost hydrogen evolution reaction(HER),as well as the oxygen evolution reaction(OER)and the oxygen reduction reaction(ORR).Combining the tremendous tunability of ligand and coordination environment with rich metal-based electrocatalysts can create breakthrough opportunities for achieving both high stability and ***,we propose a novel and stable holey graphene-like carbon nitride monolayer g-C_(16)N5(N_(4)@g-C_(16)N_(3))stoichiometries interestingly behaving as a natural substrate for constructing SACs((TM-N_(4))@g-C_(16)N_(3)),whose evenly distributed holes map rich and uniform nitrogen coordination positions with electron-rich lone pairs for anchoring transition metal(TM)***,we employed density functional theory(DFT)calculations to systematically investigate the electrocatalytic activity of(TM-N_(4))@g-C_(16)N_(3) toward HER/OER/ORR,meanwhile considering the synergistic modulation of H-loading and O-coordination((TM-N_(x)O_(4-x))@g-C_(16)N_(3)^(-)H_(3),x=0–4).Together a“four-step procedure”screening mechanism with the first-principles high-throughput calculations,we find that(Rh-N_(4))and(Ir-N_(2)O_(2)-II)distributed on g-C_(16)N_(3)^(-)H_(3) can modulate the adsorption strength of the adsorbates,thus achieving the best HER/OER/ORR performance among 216 candidates,and the lowest overpotential of 0.098/0.3/0.46 V and 0.06/0.48/0.45 V,***,the d-band center,crystal orbital Hamilton population(COHP),and molecular orbitals are used to reveal the OER/ORR activity ***,the Rh/Ir-d orbital is dramatically hybridized with the O-p orbital of the oxygenated adsorbates,so that the lone-electrons incipiently locate at the antibonding orbital pair up and popula

关键词： single atom catalysts loading and coordination hydrogen evolution reaction oxygen evolution reaction oxygen reduction reaction

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A numerical survey of parameters to reach ignition condition for axial compression of a large-sized field reversed configuration

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Plasma science and technology 2024年第5期26卷 47-55页

作者：李宜霖廖晖周海洋孙玄 department of Plasma Physics and Fusion Engineering School of Nuclear Science and TechnologyUniversity of Science and Technology of ChinaHefei 230026People’s Republic of China

Field reversed configuration(FRC)is widely considered as an ideal target plasma for magnetoinertial ***,its confinement and stability,both proportional to the radius,will deteriorate inevitably during radial ***,we propose a new fusion approach based on axial compression of a large-sized *** axial compression can be made by plasma jets or plasmoids converging onto the axial ends of the *** parameter space that can reach the ignition condition while preserving the FRC's overall quality is studied using a numerical model based on different FRC confinement *** is found that ignition is possible for a large FRC that can be achieved with the current FRC formation techniques if compression ratio is greater than 50.A more realistic compression is to combine axial with moderate radial compression,which is also presented and calculated in this work.

关键词： field reversed configuration magnetized target fusion axial compression

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Fast fixed-time three-dimensional terminal guidance with non-concave trajectory constraint

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Chinese Journal of Aeronautics 2024年第3期37卷 208-218页

作者： Youmin GONG Yanning GUO Yueyong LYU Dongyu LI Guangfu MA department of Control science and Engineering Harbin Institute of TechnologyHarbin 150001China School of Cyber science and technology Beihang UniversityBeijing 100191China

Focusing on the non-concave trajectory constraint,a sliding-mode-based nonsingular feedback fast fixed-time three-dimensional terminal guidance of rotor unmanned aerial vehicle landing,planetary landing and spacecraft rendezvous and docking terminal phase with external disturbance is investigated in this ***,a fixed-time observer based on real-time differentiator is developed to compensate for the external disturbance,whose estimation error can converge to zero after a time independent of the initial ***,a sliding surface ensuring fixed-time convergence is *** sliding surface can guarantee that the vehicle achieves a non-concave trajectory,which is better for avoiding collision and maintaining the visibility of the landing site or docking ***,the nonsingular guidance ensuring the fixed-time convergence of the sliding surface is proposed,which is continuous and chatter *** last,three numerical simulations of Mars landing are performed to validate the effectiveness and correctness of the designed scheme.

关键词： Three-dimensional Terminal guidance Non-concave trajectory constraint Fast fixed-time control Sliding mode control

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Strong ferroelectric and luminescence properties of 0-3 type 0.8BaTiO_(3)-0.2CaTiO_(3):Pr^(3+)composite ceramics prepared by cold sintering process

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Journal of Advanced Ceramics 2024年第7期13卷 1002-1010页

作者： Xiaocui Rao Xueling Yang Renbing Sun Peng Du Hai Jiang Yao Huang Laihui Luo department of Microelectronics science and Engineering School of Physical Science and TechnologyNingbo UniversityNingbo 315211China College of Materials science and Engineering Ningbo University of TechnologyNingbo 315016China

0-3 type ferroelectric-phosphor composite ceramics cannot be prepared by the traditional solid-state sintering(SSS)method due to the strong chemical reaction between ferroelectrics and phosphors during high-temperature *** cold sintering process(CSP)may solve this issue by densifying ceramics at ultralow sintering *** this work,dense 0-3 type 0.8BaTiO3-0.2CaTiO3:Pr^(3+)(0.8BT-0.2CT:Pr^(3+))binary composite ceramics were fabricated at an ultralow temperature of 225℃via CSP with the Ba(OH)2·8H2O hydrated *** effects of the Ba(OH)2·8H2O content,sintering temperature,and sintering time on the microstructure and densification of the ceramics were *** density of the composite ceramics prepared by the optimized sintering parameters reaches 89%.Both energy-dispersive X-ray(EDX)spectroscopy and X-ray diffraction(XRD)confirm the existence of BT and CT:Pr^(3+)phases in the prepared ceramics.A strong ferroelectric performance is obtained,and the luminescent properties of CT:Pr^(3+)are preserved for the ***,the 0.8BT-0.2CT:Pr^(3+)composite ceramics prepared by CSP have stronger photoluminescence and photo-stimulated luminescence than their counterparts prepared by cold sintering assistance(CSA)and SSS ***,CSP is a promising method for combining luminescent and ferroelectric properties into 0-3 type composite ceramics.

关键词： single-step densification cold sintering composite ceramics ferroelectric luminescence

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On n-universal quadratic forms over dyadic local fields

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science China Mathematics 2024年第7期67卷 1481-1506页

作者： Zilong He Yong Hu School of Computer science and technology Dongguan University of TechnologyDongguan523808China department of Mathematics Southern University of Science and TechnologyShenzhen518055China

Let n≥2 be an integer. We give necessary and sufficient conditions for an integral quadratic form over dyadic local fields to be n-universal by using invariants from Beli's theory of bases of norm ***, we provide a minimal set for testing n-universal quadratic forms over dyadic local fields, as an analogue of Bhargava and Hanke's 290-theorem(or Conway and Schneeberger's 15-theorem) on universal quadratic forms with integer coefficients.

关键词： integral quadratic forms n-universal quadratic forms dyadic fields 290-theorem

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A Physics‑Based Seismic Risk Assessment of the Qujiang Fault:From Dynamic Rupture to Disaster Estimation

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International Journal of Disaster Risk science 2024年第1期15卷 165-177页

作者： Yilong Li Zijia Wang Zhenguo Zhang Yuhao Gu Houyun Yu School of National Safety and Emergency management Beijing Normal UniversityZhuhai 519087China department of Earth and Space sciences Southern University of Science and TechnologyShenzhen 518055China Guangdong Provincial Key Laboratory of Geophysical High-Resolution Imaging technology Southern University of Science and TechnologyShenzhen 518055China

This study achieved the construction of earthquake disaster scenarios based on physics-based methods-from fault dynamic rupture to seismic wave propagation-and then population and economic loss *** physics-based dynamic rupture and strong ground motion simulations can fully consider the three-dimensional complexity of physical parameters such as fault geometry,stress field,rock properties,and *** analysis of multiple seismic disaster scenarios along the Qujiang Fault in western Yunnan Province in southwestern China based on different nucleation locations was *** results indicate that the northwestern segment of the Qujiang Fault is expected to experience significantly higher levels of damage compared to the southeastern ***,there are significant variations in human losses,even though the economic losses are similar across different *** Bai Autonomous Prefecture,Chuxiong Yi Autonomous Prefecture,Yuxi City,Honghe Hani and Yi Autonomous Prefecture,and Wenshan Zhuang and Miao Autonomous Prefecture were identified as at medium to high seismic risks,with Yuxi and Honghe being particularly *** targeted earthquake prevention measures in Yuxi and Honghe will significantly mitigate the potential risks posed by the Qujiang ***,although the fault is within Yuxi,Honghe is likely to suffer the most severe *** findings emphasize the importance of considering rupture directivity and its influence on ground motion distribution when assessing seismic risk.

关键词： Earthquake disaster loss estimation Physics-based earthquake scenario simulation Qujiang Fault Rupture directivity Seismic risk assessment

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Mixed convectional and chemical reactive flow of nanofluid with slanted MHD on moving permeable stretching/shrinking sheet through nonlinear radiation,energy omission

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Chinese Physics B 2024年第5期33卷 193-202页

作者： Saleem Nasir Sekson Sirisubtawee Pongpol Juntharee Taza Gul department of Mathematics Faculty of Applied ScienceKing Mongkut's University of Technology North BangkokBangkok 10800Thailand department of Mathematics City University of Science and Information TechnologyPeshawarPakistan

Hybrid nanofluids are remarkable functioning liquids that are intended to reduce the energy loss while maximizing the heat *** the involvement of suction and nonlinear thermal radiation effects,this study attempted to explore the energy transmission features of the inclined magnetohydrodynamic(MHD)stagnation flow of CNTs-hybrid nanofluid across the nonlinear permeable stretching or shrinking *** work also included some noteworthy features like chemical reactions,variable molecular diffusivity,quadratic convection,viscous dissipation,velocity slip and heat omission *** appropriate similarity components,the model equations were modified to ODEs and computed by using the HAM *** impact of various relevant flow characteristics on movement,heat and concentration profiles was investigated and plotted on a *** various model factors,the significance of drag friction,heat and mass transfer rate were also computed in tabular and graphical *** leads to the conclusion that such factors have a considerable impact on the dynamics of fluid as well as other engineering measurements of ***,viscous forces are dominated by increasing the values ofλ_(p),δ_(m)andδ_(q),and as a result,F(ξ)accelerates while the opposite trend is observed for M andφ.The drag friction is boosted by the augmentation M,λ_(p)andφ,but the rate of heat transfer *** to our findings,hybrid nanoliquid effects dominate that of ordinary nanofluid in terms of F(ξ),Θ(ξ)andφ(ξ)*** HAM and the numerical technique(shooting method)were found to be in good agreement.

关键词： hybrid nanofluid(SWCNT+MWCNT/H_(2)O) velocity slip conditions nonlinear thermal radiation exponential stretching/shrinking sheet inclined magnetohydrodynamic(MHD)stagnation flow

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Advanced Algorithm for Parameters Estimation of Negative Binomial Distribution with High Dimensional Sparse Group Structure

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Journal of Systems science & Complexity 2024年第5期37卷 2173-2195页

作者： LI Meiqi JIN Baisuo School of management University of Science and Technology of China

Negative binomial regression is a powerful technique for modeling count data, particularly when dealing with overdispersion. However, estimating the parameters for large-dimensional sparse models is challenging due to the complexity of optimizing the mean and dispersion parameter of the negative binomial distribution. To address this issue, the authors propose a novel approach that employs two iterations of the majorize-minimize(MM) algorithm, one for estimating the dispersion parameter and the other for estimating the mean parameters. These approaches improve the convergence speed and stability of the algorithm. The authors also use group penalty for variable selection, which enhances the accuracy and efficiency of the algorithm. The proposed method provides an explicit solution,simplifies the iteration process, and maintains good stability while ensuring algorithm ***, the authors apply the proposed algorithm to the zero-inflated model and demonstrate its promising predictive performance on specific data sets. The research has important implications for count data modeling and analysis in various fields, such as data mining, machine learning, and bioinformatics.

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Evolution and function of residual solvent in polymer-Li2B12H12 composite solid electrolyte

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Rare Metals 2024年第8期43卷 3748-3757页

作者： Xiang-Yang Ye Ke-Pan Bao Sai-Nan Luo Xin Li Tai-Qiang Chen Shui-Xin Xia Tao Yuan Yue-Peng Pang Shi-You Zheng School of Materials and Chemistry University of Shanghai for Science and Technology department of Materials science and Engineering National University of Singapore

Composite solid electrolytes（CSEs） containing polymer matrices and inorganic fillers hold promise for the next generation of solid-state ***,the role of residual solvents in CSEs remains *** study investigated the evolution and function of the residual solvent in a polymer-Li2B12H12CSE.A partial reaction occurred between Li2B12H12and solvent N,N-dimethylformamide（DMF）,which produced dimethylaminomethanol（DMAM） in the *** functional theory calculations have revealed that DMA M forms stronger hydrogen bonds with polyvinylidene fluoride chains than DMF,which can have a plasticizing effect on the polymer matrix,leading to lower crystallinity and quicker segment ***,this CSE exhibited improved Li-ion conducting properties,enabling the stable cycling of Li‖LiFePO4solid-state *** study provided insights into the role of residual solvents in CSEs.

关键词： Composite solid electrolyte Residual solvent Lithium borohydride Plasticizing effect

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Topological magnetoelectric response in ferromagnetic axion insulators

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National science Review 2024年第2期11卷 8-14页

作者： Yuhao Wan Jiayu Li Qihang Liu department of Physics and Shenzhen Institute for Quantum science and Engineering(SIQSE) Southern University of Science and Technology Shenzhen Key Laboratory of Advanced Quantum Functional Materials and Devices Southern University of Science and Technology Guangdong Provincial Key Laboratory for Computational science and Material Design Southern University of Science and Technology

The topological magnetoelectric effect （TME） is a hallmark response of the topological field theory,which provides a paradigm shift in the study of emergent topological ***,its direct observation is yet to be realized due to the demanding magnetic configuration required to gap all surface ***,we theoretically propose that axion insulators with a simple ferromagnetic configuration,such as the MnBi2Te4/（Bi2Te3）nfamily,provide an ideal playground to realize the *** the designed triangular prism geometry,all the surface states are magnetically *** a vertical electric field,the surface Hall currents give rise to a nearly half-quantized orbital moment,accompanied by a gapless chiral hinge mode circulating in ***,the orbital magnetization from the two topological origins can be easily distinguished by reversing the electric *** work paves the way for direct observation of the TME in realistic axion-insulator materials.

关键词： topological magnetoelectric effect axion insulator magnetic topological materials

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