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Bound-Preserving Discontinuous galerkin Methods with Modified Patankar Time Integrations for Chemical Reacting Flows

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Communications on Applied Mathematics and Computation 2024年第1期6卷 190-217页

作者： Fangyao Zhu juntao Huang Yang Yang Department of Mathematical Sciences Michigan Technological UniversityHoughtonMI49931USA Department of Mathematics and Statistics Texas Tech UniversityLubbockTX79409USA

In this paper,we develop bound-preserving discontinuous galerkin(Dg)methods for chemical reactive *** are several difficulties in constructing suitable numerical *** of all,the density and internal energy are positive,and the mass fraction of each species is between 0 and ***,due to the rapid reaction rate,the system may contain stiff sources,and the strong-stability-preserving explicit Runge-Kutta method may result in limited time-step *** obtain physically relevant numerical approximations,we apply the bound-preserving technique to the Dg *** traditional positivity-preserving techniques can successfully yield positive density,internal energy,and mass fractions,they may not enforce the upper bound 1 of the mass *** solve this problem,we need to(i)make sure the numerical fluxes in the equations of the mass fractions are consistent with that in the equation of the density;(ii)choose conservative time integrations,such that the summation of the mass fractions is *** the above two conditions,the positive mass fractions have summation 1,and then,they are all between 0 and *** time discretization,we apply the modified Runge-Kutta/multi-step Patankar methods,which are explicit for the flux while implicit for the *** methods can handle stiff sources with relatively large time steps,preserve the positivity of the target variables,and keep the summation of the mass fractions to be ***,it is not straightforward to combine the bound-preserving Dg methods and the Patankar time *** positivity-preserving technique for Dg methods requires positive numerical approximations at the cell interfaces,while Patankar methods can keep the positivity of the pre-selected point values of the target *** match the degree of freedom,we use polynomials on rectangular meshes for problems in two space *** evolve in time,we first read the polynomials at the gaussian ***,suitable slope l

关键词： Compressible Euler equations Chemical reacting flows Bound-preserving Discontinuous galerkin(Dg)method Modified Patankar method

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Adaptive Sparse grid Discontinuous galerkin Method:Review and Software Implementation

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Communications on Applied Mathematics and Computation 2024年第1期6卷 501-532页

作者： juntao Huang Wei guo Yingda Cheng Department of Mathematics and Statistics Texas Tech UniversityLubbockTX79409USA Department of Computational Mathematics Science and EngineeringMichigan State UniversityEast LansingMI48824USA Department of Mathematics Michigan State UniversityEast LansingMI48824USA

This paper reviews the adaptive sparse grid discontinuous galerkin(aSg-Dg)method for computing high dimensional partial differential equations(PDEs)and its software *** C++software package called AdaM-Dg,implementing the aSg-Dg method,is available on gitHub at https://***/juntaoHuang/*** package is capable of treating a large class of high dimensional linear and nonlinear *** review the essential components of the algorithm and the functionality of the software,including the multiwavelets used,assembling of bilinear operators,fast matrix-vector product for data with hierarchical *** further demonstrate the performance of the package by reporting the numerical error and the CPU cost for several benchmark tests,including linear transport equations,wave equations,and Hamilton-Jacobi(HJ)equations.

关键词： Adaptive sparse grid Discontinuous galerkin High dimensional partial differential equation Software development

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RNase P:Beyond Precursor tRNA Processing

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genomics, Proteomics & Bioinformatics 2024年第1期22卷 19-28页

作者： Peipei Wang juntao Lin Xiangyang Zheng Xingzhi Xu guangdong Key Laboratory for genome Stability&Disease Prevention and Marshall Laboratory of Biomedical Engineering Shenzhen University Medical SchoolShenzhen UniversityShenzhen 518060China Department of Urology The First Affiliated HospitalZhejiang University School of MedicineHangzhou 310000China Shenzhen University general Hospital-Dehua Hospital Joint Research Center on Precision Medicine Dehua HospitalDehua 362500China

Ribonuclease P(RNase P)was first described in the 1970’s as an endoribonuclease acting in the maturation of precursor transfer RNAs(tRNAs).More recent studies,however,have uncovered non-canonical roles for RNase P and its ***,we review the recent progress of its involvement in chromatin assembly,DNA damage response,and maintenance of genome stability with implications in *** possibility of RNase P as a therapeutic target in cancer is also discussed.

关键词： RNase P Chromatin assembly DNA damage response genome stability Tumorigenesis

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Novel medium entropy perovskite oxide Sr(FeCoNiMo)_(1/4)O_(3−δ)for zinc-air battery cathode

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Journal of Energy Chemistry 2024年第9期96卷 669-678页

作者： Kaixin Li juntao gao Xu Han Qi Shao Zhe Lü School of Physics Harbin Institute of TechnologyHarbin 150001HeilongjiangChina Heilongjiang Provincial Key Laboratory of Advanced Quantum Functional Materials and Sensor Components Harbin 150001HeilongjiangChina

It is widely recognized that the development of ZABs is impeded by the kinetic bottleneck of oxygen evolution reaction(OER)and oxygen reduction reaction(ORR).The application of conformational entropy strategy to oxides often involves introducing multiple elements with different properties,thereby providing outstanding bifunctional catalytic activity for OER/***,the possible underlying catalytic pathways and potential interactions between various components are still poorly *** paper presents an excellent medium-entropy perovskite oxide,Sr(FeCoNiMo)_(1/4)O_(3−δ)(lower overpotential of 301 mV at 10 mA cm^(−2)).Zinc-air batteries employing it as a cathode catalyst demonstrate excellent round-trip efficiency(62%).By combining theoretical calculation with experiments,we aim to establish the link between the electronic structure of perovskite oxides with different elemental compositions and their OER *** reveals that the conformational entropy strategy can simultaneously shift the O 2p-band center and metal d-band center of perovskite oxide towards the vicinity of the Fermi energy level,thereby triggering a more favorable lattice oxygen-participated mechanism(LOM)during the OER *** outcomes of this work provide crucial insights into the role of conformational entropy strategies in oxygen catalysis and offer potential avenues for constructing efficient and stable electrocatalysts.

关键词： Sr(FeCoNiMo)_(1/4)O_(3−δ) Bifunctional catalyst Medium entropy LOM Rechargeable zinc-air batteries

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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 Engineering University of Science and Technology of China

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 Li3Bi,Li2O,and *** 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 LiFePO4display 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： Conversion-alloying reaction Dendrite-free Lithium metal battery Multifunctional interlayer Separator

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Enhanced electrocatalytic CO_(2)reduction to formic acid using nanocomposites of In_(2)O_(3)@C with graphene

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Nano Research 2024年第6期17卷 5031-5039页

作者： Wenxiang Li Shuo gao Chuanruo Yang juntao Yang Amjad Nisar guolei Xiang Junsu Jin Beijing Key Laboratory of Membrane Science and Technology Beijing University of Chemical TechnologyBeijing 100029China Nanomaterials Research group PDPINSTECHIslamabad 44000Pakistan Institute of Industrial Chemistry College of ChemistryBeijing University of Chemical TechnologyBeijing 100029China

In_(2)O_(3)is an effective electrocatalyst to convert CO_(2)to formic acid(HCOOH),but its inherent poor electrical conductivity limits the efficient charge transfer during the ***,the tendency of In_(2)O_(3)particles to agglomerate during synthesis further limits the exposure of active *** we address these issues by leveraging the template effect of graphene oxide and employing InBDC as a self-sacrificing template for the pyrolysis synthesis of In_(2)O_(3)@*** resulting In_(2)O_(3)@C/rgO-600 material features In_(2)O_(3)@C nanocubes uniformly anchored on a support of reduced graphene oxide(rgO),significantly enhancing the active sites *** conductive rgO network facilitates charge transfer during electrocatalysis,and the presence of oxygen vacancies generated during pyrolysis,combined with the strong electron-donating ability of rgO,enhances the adsorption and activation of CO_(2).In performance evaluation,In_(2)O_(3)@C/rgO-600 exhibits a remarkable HCOOH Faradaic efficiency exceeding 94.0%over a broad potential window of−0.7 to−1.0 V(*** hydrogen electrode(RHE)),with the highest value of 97.9%at−0.9 V(***)in a ***,the material demonstrates an excellent cathodic energy efficiency of 71.6%at−0.7 V(***).The study underscores the efficacy of uniformly anchoring metal oxide nanoparticles onto rgO for enhancing the electrocatalytic CO_(2)reduction performance of materials.

关键词： In_(2)O_(3)@C nanocomposite electrochemical CO_(2)reduction reduced graphene oxide oxygen vacancy

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Ordovician reservoirs in Fuxian area:gas accumulation patterns and their implications for the exploration of lower Paleozoic carbonates in the southern Ordos Basin

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Energy geoscience 2024年第1期5卷 63-71页

作者： Ning gu juntao Zhang Xiaohui Jin Fei Yang Lu Liu Petroleum Exploration and Production Research Institute SINOPECBeijing102206China Huabei Oil&gas Branch SINOPECZhengzhouHenan450000China

In recent years,the Fuxian area in the southeastern Ordos Basin has undergone significant exploration,with industrial gas flow tested in wells drilled into the Ordovician marine *** this,the gas accumulation patterns of this area are not fully understood,posing challenges for further *** analysis of geological conditions indicates that the Ordovician Majiagou Formation in this area hosts two gas plays:one found in weathering crusts and the other found in interior of the *** investigated various typical gas reservoirs in the area,focusing on differentiating the geological conditions and factors controlling gas accumulation in the weathering-crust and interior gas *** results suggest three primary gas accumulation patterns in the Majiagou Formation in the Fuxian area:(1)upper gas accumulation in weathering crusts,present in the high parts of landforms such as residual paleo-hills or buried paleo-platform(Pattern I);(2)the stereoscopic pattern with gas accumulation in both weathering crusts and strata interior,arising in high parts of landforms such as residual paleo-hills or buried paleo-platforms(Pattern II);(3)lower gas accumulation in strata interior,occurring in the upper reaches and on both sides of paleo-trenches(Pattern III).This study will serve as a geological basis for future exploration deployment in the Fuxian area.

关键词： gas accumulation Ordovician Weathering crust play Interior play Fuxian area The ordos basin

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Boosting oxygen reduction activity and CO_(2) resistance on bismuth ferrite-based perovskite cathode for low-temperature solid oxide fuel cells below 600℃

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Journal of Energy Chemistry 2024年第3期90卷 600-609,I0013页

作者： juntao gao Zhiyun Wei Mengke Yuan Zhe Wang Zhe Lü Qiang Li Lingling Xu Bo Wei School of Physics Harbin Institute of TechnologyHarbin 150001HeilongjiangChina Key Laboratory of Functional Inorganic Material Chemistry Ministry of EducationSchool of Chemistry and Materials ScienceHeilongjiang UniversityHarbin 150080HeilongjiangChina School of Physics and Electronic Engineering Harbin Normal UniversityHarbin 150025HeilongjiangChina

Developing efficient and stable cathodes for low-temperature solid oxide fuel cells(LT-SOFCs) is of great importance for the practical ***,we propose a series of Sm-modified Bi_(0.7-x)Sm_xSr_(0.3)FeO_(3-δ) perovskites as highly-active catalysts for *** doping can significantly enhance the electrocata lytic activity and chemical stability of *** 600℃,Bi_(0.675)Sm_(0.025)Sr_(0.3)FeO_(3-δ)(BSSF25) cathode has been found to be the optimum composition with a polarization resistance of 0.098 Ω cm^2,which is only around 22.8% of Bi_(0.7)Sr_(0.3)FeO_(3-δ)(BSF).A full cell utilizing BSSF25 displays an exceptional output density of 790 mW cm^(-2),which can operate continuously over100 h without obvious *** remarkable electrochemical performance observed can be attributed to the improved O_(2) transport kinetics,superior surface oxygen adsorption capacity,as well as O_(2)p band centers in close proximity to the Fermi ***,larger average bonding energy(ABE) and the presence of highly acidic Bi,Sm,and Fe ions restrict the adsorption of CO_(2) on the cathode surface,resulting in excellent CO_(2) *** work provides valuable guidance for systematic design of efficient and durable catalysts for LT-SOFCs.

关键词： Low-temperature solid oxide fuel cell Perovskite cathode DFT calculations CO_(2) tolerance

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Promoted monolithic perovskite/organic tandem solar cells through elaborate manipulation of light transmission and carrier tunneling in interconnect junction

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Science China Chemistry 2024年第9期67卷 3131-3139页

作者： Rongbo Wang Jiawei Zhang juntao Zhao Ya Wang Yi Ding Ying Zhao Xiaodan Zhang guofu Hou Institute of Photoelectronic Thin Film Devices and Technology Renewable Energy Conversion and Storage CenterSolar Energy Conversion CenterNankai UniversityTianjin 300350China Key Laboratory of Photoelectronic Thin Film Devices and Technology of Tianjin Tianjin 300350China Engineering Research Center of Thin Film Photoelectronic Technology of Ministry of Education Tianjin 300350China State Key Laboratory of Photovoltaic Materials and Solar Cells Tianjin 300350China

Monolithic perovskite/organic tandem solar cells(TSCs)have emerged as promising thin film solar *** is recognized that interconnect junction plays a pivotal role in tandem ***,wide bandgap Cs_(0.25)FA_(0.75)Pb(I_(0.6)Br_(0.4))_(3)perovskite top-cell and narrow bandgap PM6:Y6:PC_(61)BM ternary organic bottom-cell were integrated in this study with several kinds of thin metal interconnect layers,which provides feasibility to elaborately manipulate light transmission and carrier tunneling process in interconnect *** is confirmed that,in comparison with Au,employing an Ag interconnect layer elevates integrated transmittance of light in longer wavelength regions,mainly because of the alleviated screening effect with a lower free electron concentration,which offers sufficient light harvest for the ***,established energy barriers with moderate height afford convenient extraction and recombination for both holes and ***,the performance of TSCs is promoted ***,an innovative Ag/Au double interconnect layer is proposed accordingly,which can preserve exceptional conductivity and light transmission and further reduce barrier height,especially for hole tunneling,by optimizing the band alignment between the interconnect layer and ***,the monolithic perovskite/organic TSC with a striking efficiency of 23.26% is *** a word,this study can pave a general approach toward high-performance TSCs integration.

关键词： tandem solar cells band alignment perovskite organic solar cells interconnect junction

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Damage degradation mechanism and macro-meso structural response of mudstone after water wetting

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Journal of Mountain Science 2024年第8期21卷 2825-2843页

作者： SHAO Zhixin SONg Yanqi ZHENg Junjie SHEN Fuxin LIU Chuanpeng YANg juntao School of Mechanics and Civil Engineering China University of Mining and Technology(Beijing)Beijing 100083China State Key Laboratory of Coal Resources and Safe Mining China University of Mining&Technology(Beijing)Beijing 100083China

The predominant presence of weak interlayers primarily composed of mudstone renders them highly susceptible to a reduction in bearing capacity due to the water-rock weakening effect,significantly impacting the safety of open-pit mining *** study focuses on the weak mudstone layers within open-pit mine *** mineral composition of mudstone and the microstructure evolution characteristics before and after water wetting were analyzed by X-ray diffraction(XRD)and scanning electron microscope(SEM).The meso-structure and parameter variation characteristics of mudstone interior space after water-rock interaction were quantified by computed tomography scanning test,and the damage variable characterization method was ***,according to the uniaxial compression test,the degradation characteristics of the macroscopic mechanical behavior of mudstone under different water wetting time were explored,and the elastic modulus and strength attenuation model of mudstone based on mesoscopic damage were ***,building upon the macro-meso structural response characteristics of mudstone,an exploration of the failure characteristics and deterioration mechanism under the influence of water-rock interactions was *** results show that the water-rock interaction makes the internal defects of mudstone gradually develop and form a fracture network structure,which eventually leads to the deterioration of its macroscopic mechanical *** porosity,fractal dimension and damage characteristics of mudstone show an exponential trend with the increase of water wetting ***,the deterioration mechanism of mudstone after water wetting are postulated to encompass factors such as the hydrophilicity of mineral molecular structures,hydration stress and expansion effects on clay particles,as well as the spatial distribution of microcracks and the phenomenon of fracture *** outcomes of this research endeavor aim to provide cer

关键词： Moisture absorption of mudstone Computed tomography scanning test Fracture structure evolution Macro-meso structural response Deterioration mechanism

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