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High-entropy design boosts dielectric energy storage

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Rare Metals 2024年第8期43卷 4013-4015页

作者： qiu-Ying Xia He Zhu Si Lan Yang Ren Herbert Gleiter Institute of Nanoscience School of Materials Science and EngineeringNanjing University of Science and TechnologyNanjing 210094China Department of Physics City University of Hong KongHong Kong999077China

Dielectric capacitors are vital for advanced electronic and electrical power systems due to their impressive power density and ***,a persistent challenge has been enhancing their energy densities while maintaining high *** in Science,a novel high-entropy design for relaxor ferroelectric materials has been proposed,promising significant improvements in both energy density and efficiency for multilayer dielectric ceramic *** the crucial role of high-entropy design in energy storage materials and devices,this highlight focuses on interpreting the progress and significance of this innovative work.

关键词： ceramic dielectric energy

A Local Macroscopic Conservative(LoMaC)Low Rank Tensor Method with the Discontinuous Galerkin Method for the Vlasov Dynamics

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Communications on Applied Mathematics and Computation 2024年第1期6卷 550-575页

作者： Wei Guo Jannatul Ferdous Ema Jing-Mei qiu Department of Mathematics and Statistics Texas Tech UniversityLubbockTX70409USA Department of Mathematical Sciences University of DelawareNewarkDE19716USA

In this paper,we propose a novel Local Macroscopic Conservative(LoMaC)low rank tensor method with discontinuous Galerkin(DG)discretization for the physical and phase spaces for simulating the Vlasov-Poisson(VP)*** LoMaC property refers to the exact local conservation of macroscopic mass,momentum,and energy at the discrete *** recently developed LoMaC low rank tensor algorithm(arXiv:2207.00518)simultaneously evolves the macroscopic conservation laws of mass,momentum,and energy using the kinetic flux vector splitting;then the LoMaC property is realized by projecting the low rank kinetic solution onto a subspace that shares the same macroscopic *** paper is a generalization of our previous work,but with DG discretization to take advantage of its compactness and flexibility in handling boundary conditions and its superior accuracy in the long *** algorithm is developed in a similar fashion as that for a finite difference scheme,by observing that the DG method can be viewed equivalently in a nodal *** the nodal DG method,assuming a tensorized computational grid,one will be able to(i)derive differentiation matrices for different nodal points based on a DG upwind discretization of transport terms,and(ii)define a weighted inner product space based on the nodal DG grid *** algorithm can be extended to the high dimensional problems by hierarchical Tucker(HT)decomposition of solution tensors and a corresponding conservative projection *** a similar spirit,the algorithm can be extended to DG methods on nodal points of an unstructured mesh,or to other types of discretization,e.g.,the spectral method in velocity *** numerical results are performed to showcase the efficacy of the method.

关键词： Hierarchical Tucker(HT)decomposition Conservative SVD Energy conservation Discontinuous Galerkin(DG)method

An attention-based teacher-student model for multivariate short-term landslide displacement prediction incorporating weather forecast data

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Journal of Mountain Science 2024年第8期21卷 2739-2753页

作者： CHEN Jun HU Wang ZHANG Yu qiu Hongzhi WANG Renchao Sichuan Artificial Intelligence Research Institute Yibin 644000China School of Computer Science and Engineering University of Electronic Science and Technology of ChinaChengdu 611731China School of Architecture and Civil Engineering Chengdu UniversityChengdu 610106China

Predicting the displacement of landslide is of utmost practical importance as the landslide can pose serious threats to both human life and ***,traditional methods have the limitation of random selection in sliding window selection and seldom incorporate weather forecast data for displacement prediction,while a single structural model cannot handle input sequences of different lengths at the same *** order to solve these limitations,in this study,a new approach is proposed that utilizes weather forecast data and incorporates the maximum information coefficient(MIC),long short-term memory network(LSTM),and attention mechanism to establish a teacher-student coupling model with parallel structure for short-term landslide displacement *** MIC,a suitable input sequence length is selected for the LSTM *** investigate the influence of rainfall on landslides during different seasons,a parallel teacher-student coupling model is developed that is able to learn sequential information from various time series of different *** teacher model learns sequence information from rainfall intensity time series while incorporating reliable short-term weather forecast data from platforms such as China Meteorological Administration(CMA)and Reliable Prognosis(https://***)to improve the model’s expression capability,and the student model learns sequence information from other time *** attention module is then designed to integrate different sequence information to derive a context vector,representing seasonal temporal attention ***,the predicted displacement is obtained through a linear *** proposed method demonstrates superior prediction accuracies,surpassing those of the support vector machine(SVM),LSTM,recurrent neural network(RNN),temporal convolutional network(TCN),and LSTM-Attention *** achieves a mean absolute error(MAE)of 0.072 mm,root mean square error(RMSE)of 0.096 mm,and pearson correlation coefficients(PC

关键词： Landslide prediction MIC LSTM Attention mechanism Teacher Student model Prediction stability and interpretability

Rapid profiling rock mass quality underneath tunnel face for Sichuan-Xizang Railway

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Underground Space 2024年第6期19卷 138-152页

作者： Siyuan Wu Min qiu Zhao Yang Fuquan Ji Zhongqi Quentin Yue Department of Civil Engineering The University of Hong KongHong Kong 999077China CCCC Second Harbor Engineering Company Ltd. Wuhan 430000China Research and Development Center of Transport Industry of Intelligent Manufacturing Technologies of Transport Infrastructure Wuhan 430000China

The Sichuan-Xizang Railway is a global challenge,surpassing other known railway projects in terms of geological and topographical *** paper presents an approach for rapidly profiling rock mass quality underneath tunnel face for the ongoing construction of the Sichuan-Xizang *** adopts the time-series method and carries out the quantitative analysis of the rock mass quality using the depth-series measurement-while-drilling(MWD)data associated with drilling of blastholes.A tunnel face with 15 blastholes is examined for *** results include identification of the boundary of homogeneous geomaterial by plotting the blasthole depth against the net drilling time,as well as quantification of rock mass quality through the recalculation of the new specific *** new specific energy profile is compared and highly consistent with laboratory test,manual logging and tunnel seismic prediction *** consistency can enhance the blasthole pattern design and facilitate the dynamic determination of charge placement and *** paper highlights the importance of digital monitoring during blasthole drilling for rapidly profiling rock mass quality underneath and ahead of tunnel *** upgrades the MWD technique for rapid profiling rock mass quality in drilling and blasting tunnels.

关键词： Measurement-while-drilling Drilling and blasting Rock mass quality New specific energy Constant penetration rate Sichuan-Xizang railway Tunnelling

Phase-field lattice-Boltzmann study on fully coupled thermal-solute-convection dendrite growth of Al-Cu alloy

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China Foundry 2024年第2期21卷 125-136页

作者： Yin-qi qiu Meng-wu Wu Xun-peng Qin Shou-mei Xiong Hubei Key Laboratory of Advanced Technology for Automotive Components Wuhan University of TechnologyWuhan 430070China Hubei Longzhong Laboratory Xiangyang 441000HubeiChina School of Materials Science and Engineering Tsinghua UniversityBeijing 100084China

Dendrite growth is a complex liquid-solid phase transition process involving multiple physical factors.A phase-field lattice-Boltzmann method was developed to simulate the two-and three-dimension dendrite growth of Al-Cu *** effect of fully coupled thermal-solute-convection interaction on the dendrite growth was investigated by incorporating a parallel-adaptive mesh refinement algorithm into the numerical *** accurately reproducing the latent heat release,solute diffusion and convective transport behaviors at the liquidsolid interface,the interaction mechanism among thermal-solute-convection transport as well as their coupling effects on the dendrite growth dynamics were *** simulation results show that the release of latent heat slows down the dendrite growth rate,and both natural and forced convection disrupt the symmetrical growth of *** combination makes the growth of dendrites more complex,capturing important physical aspects such as recalescence,dendrite tip splitting,dendrite tilting,dendrite remelting,and solute plume in the simulation *** on the robustness and powerful ability of the numerical model,the formation mechanisms of these physical aspects were revealed.

关键词： simulation phase field dendrite growth thermal-solute-convection interaction

First-principles study on the electronic structure of Pb_(10−x)Cu_(x)(PO_(4))_(6)O(x=0,1)

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Journal of Materials Science & Technology 2024年第4期171卷 66-70页

作者： Junwen Lai Jiangxu Li Peitao Liu Yan Sun Xing-qiu Chen Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China

Recently,Lee et *** the experimental discovery of room-temperature ambient-pressure super-conductivity in a Cu-doped lead-apatite(LK-99)(arXiv:2307.12008,arXiv:2307.12037).Remarkably,the claimed superconductivity can persist up to 400 K at ambient *** the experimental im-plication,the electronic structure of LK-99 has not yet been ***,we investigate the electronic structures of LK-99 and its parent compound using first-principles calculations,aiming to elucidate the doping effects of *** results reveal that the parent compound Pb_(10)(PO_(4))_(6)O is an insulator,while Cu doping induces an insulator-metal transition and thus volume *** band structures of LK-99 around the Fermi level are featured by a half-filled flat band and a fully-occupied flat *** two very flat bands arise from both the 2p orbitals of 1/4-occupied O atoms and the hybridization of the 3d orbitals of Cu with the 2p orbitals of its nearest-neighboring O ***,we observe four van Hove singularities on these two flat ***,we show that the flat band structures can be tuned by including electronic correlation effects or by doping different *** find that among the considered doping elements(Ni,Cu,Zn,Ag,and Au),both Ni and Zn doping result in the gap opening,whereas Au exhibits doping effects more similar to Cu than *** work establishes a foundation for fu-ture studies to investigate the role of unique electronic structures of LK-99 in its claimed superconducting properties.

关键词： First-principles calculations Density functional theory Electronic structur e Superconductivity Flat bands Strongly correlated electrons

Algorithms and statistical analysis for linear structured weighted total least squares problem

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Geodesy and Geodynamics 2024年第2期15卷 177-188页

作者： Jian Xie Tianwei qiu Cui Zhou Dongfang Lin Sichun Long School of Earth Science and Spatial Information Engineering Hunan University of Science and TechnologyXiangtan 411201China College of Science Central South University of Forestry and TechnologyChangsha 410018China National-Local Joint Engineering Laboratory of Geo-spatial Information Technology Hunan University of Science and TechnologyXiangtan 411201China

Weighted total least squares(WTLS)have been regarded as the standard tool for the errors-in-variables(EIV)model in which all the elements in the observation vector and the coefficient matrix are contaminated with random ***,in many geodetic applications,some elements are error-free and some random observations appear repeatedly in different positions in the augmented coefficient *** is called the linear structured EIV(LSEIV)*** kinds of methods are proposed for the LSEIV model from functional and stochastic *** the one hand,the functional part of the LSEIV model is modified into the errors-in-observations(EIO)*** the other hand,the stochastic model is modified by applying the Moore-Penrose inverse of the cofactor *** algorithms are derived through the Lagrange multipliers method and linear *** estimation principles and iterative formula of the parameters are proven to be *** first-order approximate variance-covariance matrix(VCM)of the parameters is also derived.A numerical example is given to compare the performances of our proposed three algorithms with the STLS ***,the least squares(LS),total least squares(TLS)and linear structured weighted total least squares(LSWTLS)solutions are compared and the accuracy evaluation formula is proven to be feasible and ***,the LSWTLS is applied to the field of deformation analysis,which yields a better result than the traditional LS and TLS estimations.

关键词： Linear structured weighted total least squares Errors-in-variables Errors-in-observations Functional modelmodification Stochastic model modification Accuracyevaluation

Unveiling the size effect of nitrogen-doped carbon-supported copper-based catalysts on nitrate-to-ammonia electroreduction

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Nano Research 2024年第4期17卷 2438-2443页

作者： Ran Li Taotao Gao Wenxi qiu Minghao Xie Zhaoyu Jin Panpan Li College of Materials Science and Engineering Sichuan UniversityChengdu 610065China Institute for Advanced Study Chengdu UniversityChengdu 610106China Materials Science and Engineering Program and Walker Department of Mechanical Engineering The University of Texas at AustinAustinTexas 78712USA Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaChengdu 610054China

The electrocatalytic nitrate reduction reaction(NitRR)represents a promising approach toward achieving economically and environmentally sustainable ***,it remains a challenge to regulate the size effect of electrocatalysts to optimize the catalytic activity and ammonia ***,the Cu-based catalysts were tailored at the atomic level to exhibit a size gradient ranging from single-atom catalysts(SACs,0.15–0.35 nm)to single-cluster catalysts(SCCs,1.0–2.8 nm)and nanoparticles(NPs,20–30 nm),with the aim of studying the size effect for the NO_(3)^(-)-to-NH_(3) reduction ***,the Cu SCCs exhibit enhanced metal–substrate and metal–metal interactions by taking advantageous features of Cu SACs and Cu ***,Cu SCCs achieve exceptional electrocatalytic performance for the NitRR with a maximum Faradaic efficiency of ca.96%NH_(3)and the largest yield rate of ca.1.99 mg·h^(-1)·cm^(-2) at-0.5 V *** hydrogen electrode(RHE).The theoretical calculation further reveals the size effect and coordination environment on the high catalytic activity and selectivity for the *** work provides a promising various size-controlled design strategy for aerogel-based catalysts effectively applied in various electrocatalytic reactions.

关键词： nitrate electroreduction ammonia electrosynthesis size effect single-cluster catalyst

Porous TiFe_(2) intermetallic compound fabricated via elemental powder reactive synthesis

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International Journal of Minerals,Metallurgy and Materials 2024年第4期31卷 764-772页

作者： Qian Zhao Zhenli He Yuehui He Yue qiu Zhonghe Wang Yao Jiang State Key Laboratory of Powder Metallurgy Powder Metallurgy Research InstituteCentral South UniversityChangsha 410083China

Porous intermetallics show potential in the field of filtration and separation as well as in the field of ***,porous Ti Fe2intermetallics were fabricated by the reactive synthesis of elemental *** phase transformation and pore formation of porous TiFe2intermetallics were investigated,and its corrosion behavior and hydrogen evolution reaction(HER)performance in alkali solution were *** TiFe2intermetallics with porosity in the range of 34.4%-56.4%were synthesized by the diffusion reaction of Ti and Fe elements,and the pore formation of porous TiFe2intermetallic compound is the result of a combination of the bridging effect and the Kirkendall *** porous TiFe2samples exhibit better corrosion resistance compared with porous 316L stainless steel,which is related to the formation of uniform nanosheets on the surface that hinder further corrosion,and porous TiFe2electrode shows the overpotential of 220.6 and 295.6 mV at 10 and 100 mA·cm-2,suggesting a good catalytic *** synthesized porous Fe-based intermetallic has a controllable pore structure as well as excellent corrosion resistance,showing its potential in the field of filtration and separation.

关键词： TiFe2 intermetallic compound porous materials reactive synthesis corrosion behavior hydrogen evolution reaction