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A hybrid physics-informed data-driven neural network for CO_(2) storage in depleted shale reservoirs

Petroleum Science 2024年第1期21卷 286-301页

作者： Yan-Wei Wang Zhen-Xue Dai Gui-Sheng Wang Li Chen yu-Zhou xia yu-Hao Zhou College of Construction Engineering Jilin UniversityChangchun130026JilinChina Institute of Intelligent Simulation and Early Warning for Subsurface Environment Jilin UniversityChangchun130026JilinChina School of Energy Resources China University of GeosciencesBeijing100083China Department of Safety Environmental Protection and Quality ManagementShengli OilfieldSinopecDongying257000ShandongChina Key Laboratory of Thermo-Fluid Science and Engineering of MOE School of Energy and Power EngineeringXi'an Jiaotong UniversityXi'an710049ShaanxiChina College of Computer Science and Technology China University of Petroleum(East China)Qingdao266580ShandongChina Department of Physics University of FribourgFribourg1700Switzerland

To reduce CO_(2) emissions in response to global climate change,shale reservoirs could be ideal candidates for long-term carbon geo-sequestration involving multi-scale transport ***,most current CO_(2) sequestration models do not adequately consider multiple transport ***,the evaluation of CO_(2) storage processes usually involves laborious and time-consuming numerical simulations unsuitable for practical prediction and *** this paper,an integrated model involving gas diffusion,adsorption,dissolution,slip flow,and Darcy flow is proposed to accurately characterize CO_(2) storage in depleted shale reservoirs,supporting the establishment of a training *** this basis,a hybrid physics-informed data-driven neural network(HPDNN)is developed as a deep learning surrogate for prediction and *** incorporating multiple sources of scientific knowledge,the HPDNN can be configured with limited simulation resources,significantly accelerating the forward and inversion ***,the HPDNN can more intelligently predict injection performance,precisely perform reservoir parameter inversion,and reasonably evaluate the CO_(2) storage capacity under complicated *** validation and test results demonstrate that the HPDNN can ensure high accuracy and strong robustness across an extensive applicability range when dealing with field data with multiple noise *** study has tremendous potential to replace traditional modeling tools for predicting and making decisions about CO_(2) storage projects in depleted shale reservoirs.

关键词： Deep learning Physics-informed data-driven neural network Depleted shale reservoirs CO_(2)storage Transport mechanisms

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Acoustofluidic scanning fluorescence nanoscopy with a large field of view

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Microsystems & Nanoengineering 2024年第3期10卷 159-167页

作者： Geonsoo Jin Neil Upreti Joseph Rich Jianping xia Chenglong zhao Tony Jun Huang Thomas Lord Department of Mechanical Engineering and Materials Science Duke UniversityDurhamNC 27708USA Department of Biomedical Engineering Duke UniversityDurhamNC 27708USA The MITRE Corporation McLeanVA 22102USA

Large-field nanoscale fluorescence imaging is invaluable for many applications,such as imaging subcellular structures,visualizing protein interactions,and high-resolution tissue ***,conventional fluorescence microscopy requires a trade-off between resolution and field of view due to the nature of the optics used to form the *** overcome this barrier,we developed an acoustofluidic scanning fluorescence nanoscope that simultaneously achieves superior resolution,a large field of view,and strong fluorescent *** acoustofluidic scanning fluorescence nanoscope utilizes the superresolution capabilities of microspheres that are controlled by a programmable acoustofluidic device for rapid fluorescence enhancement and *** acoustofluidic scanning fluorescence nanoscope resolves structures that cannot be resolved with conventional fluorescence microscopes with the same objective lens and enhances the fluorescent signal by a factor of~5 without altering the field of view of the *** improved resolution realized with enhanced fluorescent signals and the large field of view achieved via acoustofluidic scanning fluorescence nanoscopy provides a powerful tool for versatile nanoscale fluorescence imaging for researchers in the fields of medicine,biology,biophysics,and biomedical engineering.

关键词： field resolution utilize

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Efficient degradation of aqueous dichloromethane by an enhanced microbial electrolysis cell:Degradation kinetics,microbial community and metabolic mechanisms

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Journal of Environmental Sciences 2024年第5期139卷 150-159页

作者： Meng Wu Di zhao Bing Gu ZiruWang Jun Hu Zhiliang yu Jianming yu College of Environment College of Biotechnology and BioengineeringCollaborative Innovation Center of Yangtze River Delta Region Green PharmaceuticalsZhejiang University of TechnologyHangzhou 310014China Shentuo Environment(Hangzhou)Co.Ltd. Hangzhou 311121China Zhejiang Tianyi Environmental Co.Ltd. Hangzhou 310000China

Dichloromethane(DCM)has been listed as a toxic and harmful water pollutant,and its re moval needs *** electrolysis cells(MECs)are viewed as a promising alterna tive for pollutant removal,which can be strengthened from two aspects:microbial inocula tion and *** this study,the MEC for DCM degradation was inoculated with the ac tive sludge enhanced by Methylobacterium rhodesianum H13(strain H13)and then acclimated in the form of a microbial fuel cell(MFC).Both the introduction of strain H13 and the initi ation in MFC form significantly promoted DCM *** degradation kinetics were fitted by the Haldane model,with V_(max),K_(h),K_(i)and v_(max)values of 103.2 mg/L/hr,97.8 mg/L268.3 mg/L and 44.7 mg/L/hr/cm^(2),*** cyclic voltammogram implies that DCM redox reactions became easier with the setup of MEC,and the electrochemical impedance spectrogram shows that the acclimated and enriched microbes reduced the charge transfe resistance from the electrode to the *** the biofilm,the dominant genera shifted from Geobacter to Hyphomicrobium in acclimation ***,Methylobacterium played an increasingly important *** metabolism mainly occurred through the hydrolytic glutathione S-transferase pathway,given that the gene dcmA was identified rather than the dhlA and P450/*** exogenous electrons facilitated the reduction of GSSG,directly o indirectly accelerating the GSH-catalyzed *** study provides support fo the construction of an efficient and stable MEC for DCM removal in water environment.

关键词： Dichloromethane Microbial electrolysis cells Metabolic pathways Electron transfer Degradation kinetics

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Study on cumulative effects of biological craniocerebral trauma under repeated blast

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Theoretical & Applied Mechanics Letters 2024年第3期14卷 174-183页

作者： Xingyuan Huang Bingchen xia Lijun Chang Zhikang Liao Hui zhao Zhihua Cai Hunan Provincial Key Laboratory of Health Maintenance for Mechanical Equipment Hunan University of Science and TechnologyXiangtan 411201China School of Mechanical and Electrical Engineering Foshan UniversityFoshan 528231China Institute for Traffic Medicine PLA Army Characteristic Medical CenterChongqing 400042China

Repeated blast impacts on personnel in explosive environments can exacerbate craniocerebral *** existing studies focus on the injury effects of a single blast,lacking in-depth analysis on the injury effects and cumulative effects of repeated ***,rats were used as the experimental samples to suffer from explosion blasts with different peak air overpressures(167 kPa~482 kPa)and varying number of repeated *** cumulative effect of craniocerebral trauma was most pronounced for moderate repeated blast,showing approximately 95%increase of trauma severity with penta blast,and an approximately 85%increase of trauma severity with penta minor *** cumulative effect of craniocerebral trauma from severe,repeated blast has a smaller rate of change compared to the other two *** severity of trauma from penta blast increased by approximately 69%compared to a single *** physiological,pathological and biochemical analysis show that the degree of neurological trauma caused by repeated blasts is higher than that of single blasts,and the pathological trauma to brain tissue is more extensive and *** trauma degree remains unchanged after double blast,increases by one grade after triple or quadruple blast,and increases by two grades after penta blast.

关键词： Repeated blast Craniocerebral trauma Trauma severity grade Cumulative effects

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Effect of ultrasonic and mechanical vibration treatments on evolution of Mn-rich phases and mechanical properties of Al−12Si−4Cu−1Ni−1Mg−2Mn piston alloys

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Transactions of Nonferrous Metals Society of China 2024年第8期34卷 2393-2414页

作者： Bo LIN xiang-xiang HE Song-chao xia Hua-qiang xiaO yu-liang zhao Khashayar KHANLARI School of Mechanical Engineering Guizhou UniversityGuiyang 550025China School of Mechanical Engineering Dongguan University of TechnologyDongguan 523808China Centro Nacional de Investigaciones Metalúrgicas(CENIM) C.S.I.C.Avda.de Gregorio del Amo 8Madrid 28040Spain Department of Chemical&Biotechnological Engineering Universitéde SherbrookeQuébecQC J1K 2R1Canada

Effects of ultrasonic vibration(UV)and mechanical vibration(MV)on the Mn-rich phase modification and mechanical properties of Al−12Si−4Cu−1Ni−1Mg−2Mn piston alloys were *** results show that the UV and UV+MV treatments can significantly refine and fragmentize the *** addition,UV treatment can significantly passivate the primary Mn-rich Al15Mn3Si2 *** formation mechanisms of refinement and passivation of the grains and non-dendrite particles were *** with the gravity die-cast alloys,the UV and UV+MV treated alloys exhibit improved tensile and creep resistance at room and elevated *** results can be attributed to the refinement of theα(Al)grains and the secondary intermetallics,the increased proportion of refined heat-resistant precipitates,and the formation of nano-sized Si *** ultimate tensile strength of the UV treated alloys at 350°C exceeds that of commercial piston *** indicates the high application potential of the developed piston alloys in density diesel engines.

关键词： Al−Si piston alloys Mn-rich phases mechanical properties ultrasonic vibration mechanical vibration

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Outer-surface Covering of Nanochannels with Hydrogel for Highly Sensitive and Specific Cr(VI)Detection Through Analyte-caused Charge Change in Hydrogel

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Chemical Research in Chinese Universities 2024年第2期40卷 326-332页

作者： LIU Huan SUN Xueting DAI yu ZHANG xiaojin xia Fan Faculty of Materials Science and Chemistry China University of GeosciencesWuhan430074P.R.China

Nanochannels have made great progress and are a promising platform for detecting a series of ***,most nanochannels are modified on the inner wall,while ignoring the outer ***,we modified the outer surface of nanochannels with *** from other reported outer-surface modification methods,we directly cover nanochannels with hydrogel to form heterogeneous *** selected hydrogel hardly adsorbs other ions and shows specific adsorption for Cr(VI).The adsorption sites in hydrogel are homogeneous,and Cr(VI)adsorption onto hydrogel is endothermic and *** charge in hydrogel changes after Cr(VI)adsorption,and the resulting current changes can be used for the detection of Cr(VI)with the detection limit of 10−11 mol/*** platform is expected to be used for Cr(VI)detection in living organisms,especially within *** work provides a new approach for outer-surface modification of nanochannels and offers a new choice for nanochannel detection platforms.

关键词： Nanochannel Hydrogel Heterogeneous membrane Cr(VI)detection

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Effects of oxygen vacancy on bond ionicity,lattice energy,and microwave dielectric properties of CeO_(2) ceramics with Yb^(3+) substitution

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Journal of Advanced Ceramics 2024年第2期13卷 247-254页

作者： Mingan Shi Shuyang Ma Wangsuo xia Ying Wang Jinzi yu Haitao Wu School of Materials Science and Physics China University of Mining and TechnologyXuzhou 221008China School of Environment and Material Engineering Yantai UniversityYantai 264005China

Novel Yb_(x)Ce_(1-x)O_(2-0.5x)(x=0-0.8)ceramics,designed by replacing Ce^(4+)with Yb^(3+)ions were prepared by conventional oxide reaction,and the structural stability of the cubic fluorite structure was assessed using lattice energy and ionic properties of Ce/Yb-O *** oxygen vacancy caused by unequal substitution,which played a decisive role in bond ionicity and lattice energy,was analyzed experimentally by XPS and also theoretically by first *** Yb_(x)Ce_(1-x)O_(2-0.5x) ceramics maintain a stable cubic fluorite structure when x≤0.47,corresponding to the minimum lattice energy of 4142 kJ/mol with the lowest ionicity as ƒ_(i)=87.57%.For microwave dielectric properties,when the Yb_(x)Ce_(1-x)O_(2-0.5x)(x=0-0.4)ceramics are pure phase,the porosity-corrected permittivity is dependent on the bond *** Q×ƒ values are related to the lattice energy and grain *** temperature coefficient of resonance frequency has been analyzed using bond *** the Yb_(x)Ce_(1-x)O_(2-0.5x)(x=0.5-0.8)ceramics are multiple phases,the microwave dielectric properties are associated with the phase composition and grain growth.

关键词： structure stability bond ionicity oxygen vacancy electronic localization function(ELF)

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How interfacial electron-donating defects influence the structure and charge of gold nanoparticles on TiO_(2)support

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Nano Research 2024年第7期17卷 5965-5974页

作者： Guang-Jie xia yu Fu Wei Cao Jun Li Yang-Gang Wang Department of Chemistry and Guangdong Provincial Key Laboratory of Catalysis Southern University of Science and TechnologyShenzhen 518055China School of Physical Sciences Great Bay UniversityDongguan 523000China Department of Chemistry Tsinghua UniversityBeijing 100084China

The reduction degree of TiO_(2)support is critical to the performances of metal *** many previous theoretical calculations,only the bridge oxygen vacancy(Ov)was considered as the electron-donating defect on reduced rutile TiO_(2)(r-TiO_(2−x))***,titanium adatoms(Tiad.),oxidized titanium islands(***),and acid hydroxyls(ObrH)also exist at the metal/support *** conducting density functional theory(DFT)calculations and ab initio molecular dynamics(AIMD)simulations,we compared r-TiO_(2−x)surfaces with Ov,Tiad.,***,and ObrH sites loaded with Au nanoparticles(NPs).The results showed the Au NPs were oxygen-phobic but titanium-philic,resulting in wetting of Ov and *** short contact with *** and *** Bader charges of Au NPs(QM)showed a good linear relationship with the ideal number of donating electrons(Ne)from the defective sites(QM=−KeNe+QM,S),demonstrating the intrinsic electron allocation at the *** Ov,Tiad.,and *** exhibited similar slopes(Ke),relatively steeper than that of *** means in the scope of Au NP charge state,the *** *** have a close electron-donating ability with Ov,but the ObrH donates relatively fewer *** linear relationship can be extended approximately to other *** higher the metal work function,the steeper the Ke for easier electron donation from defective *** stronger the metal oxygen affinity,the more positive the intercept(QM,S).That explains the easy generation of metallic or negative Pt and Au NPs on r-TiO_(2−x),but hard for Cu and Zn in *** provides theoretical guidance for regulating the charge of metal NPs over TiO_(2−x)supports.

关键词： metal-support interaction titanium oxide oxygen vacancy surface hydroxyl titanium adatom

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Tuning Structural and Electronic Configuration of FeN4 via External S for Enhanced Oxygen Reduction Reaction

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Energy & Environmental Materials 2024年第2期7卷 97-105页

作者： Shidong Li Lixue xia Jiantao Li Zhuo Chen Wei Zhang Jiexin Zhu Ruohan yu Fang Liu Sungsik Lee Yan zhao Liang Zhou Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Chemical Sciences and Engineering Division Argonne National Laboratory NRC (Nanostructure Research Centre) Wuhan University of Technology X-ray Science Division Advanced Photon Sources Argonne National Laboratory State Key Laboratory of Silicate Materials for Architectures International School of Materials Science and Engineering Wuhan University of Technology The Institute of Technological Sciences Wuhan University Foshan xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Hubei Longzhong Laboratory

The Fe–N–C material represents an attractive oxygen reduction reaction electrocatalyst, and the FeN4moiety has been identified as a very competitive catalytic active site. Fine tuning of the coordination structure of FeN4has an essential impact on the catalytic performance. Herein, we construct a sulfur-modified Fe–N–C catalyst with controllable local coordination environment, where the Fe is coordinated with four in-plane N and an axial external S. The external S atom affects not only the electron distribution but also the spin state of Fe in the FeN4active site. The appearance of higher valence states and spin states for Fe demonstrates the increase in unpaired electrons. With the above characteristics, the adsorption and desorption of the reactants at FeN4active sites are optimized, thus promoting the oxygen reduction reaction activity. This work explores the key point in electronic configuration and coordination environment tuning of FeN4through S doping and provides new insight into the construction of M–N–C-based oxygen reduction reaction catalysts.

关键词： coordination structure electronic configuration FeN4 moiety oxygen reduction reaction sulfur doping

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Facile preparation of Fe/N-based biomass porous carbon composite towards enhancing the thermal decomposition of DAP-4

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Defence Technology（防务技术） 2024年第1期31卷 288-294页

作者： Er-hai An xiao-xia Li Cun-juan yu Ying-xin Tan Zi-jun Fan Qing-xia Li Peng Deng Xiong Cao School of Environment and Safety Engineering North University of ChinaTaiyuan030051PR China College of Safety and Emergency Management Engineering Taiyuan University of Science and TechnologyTaiyuan030024PR China

Fe/N-based biomass porous carbon composite(Fe/N-p Carbon) was prepared by a facile high-temperature carbonization method from biomass,and the effect of Fe/N-p Carbon on the thermal decomposition of energetic molecular perovskite-based material DAP-4 was *** porous carbonaceous materials was considered as the micro/nano support layers for in situ deposition of Fe/N ***/Np Carbon was prepared simply by the high-temperature carbonization *** was found that it showed the inherent catalysis properties for thermal decomposition of *** heat release of DAP-4/Fe/N-p Carbon by DSC curves tested had increased slightly,compared from DAP-4/Fe/N-p *** decomposition temperature peak of DAP-4 at the presence of Fe/N-p Carbon had reduced by 79°C from384.4°C(pure DAP-4) to 305.4°C(DAP-4/Fe/N-p Carbon-3).The apparent activation energy of DAP-4thermal decomposition also had decreased by 29.1 J/*** possible catalytic decomposition mechanism of DAP-4 with Fe/N-p Carbon was proposed.

关键词： Biomass materials Porous carbon DAP-4 Thermal decomposition Facile method

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