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Intelligent geochemical interpretation of mass chromatograms:Based on convolution neural network

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Petroleum Science 2024年第2期21卷 752-764页

作者： Kai-Ming Su Jun-Gang lu Jian Yu zi-xing lu Shi-Jia Chen Hubei Key Laboratory of Petroleum Geochemistry and Environment Wuhan430100HubeiChina College of Resources and Environment Yangtze UniversityWuhan430100HubeiChina School of Geoscience and Technology Southwest Petroleum UniversityChengdu610500SichuanChina Changqing Oilfield Company PetroChinaXi'an710021ShaanxiChina

Gas chromatography-mass spectrometry(GC-MS)is an extremely important analytical technique that is widely used in organic *** is the only approach to capture biomarker features of organic matter and provides the key evidence for oil-source correlation and thermal maturity ***,the conventional way of processing and interpreting the mass chromatogram is both timeconsuming and labor-intensive,which increases the research cost and restrains extensive applications of this *** overcome this limitation,a correlation model is developed based on the convolution neural network(CNN)to link the mass chromatogram and biomarker features of samples from the Triassic Yanchang Formation,Ordos Basin,*** this way,the mass chromatogram can be automatically *** research first performs dimensionality reduction for 15 biomarker parameters via the factor analysis and then quantifies the biomarker features using two indexes(*** and PMI)that represent the organic matter thermal maturity and parent material type,***,training,interpretation,and validation are performed multiple times using different CNN models to optimize the model structure and hyper-parameter setting,with the mass chromatogram used as the input and the obtained MI and PMI values for supervision(label).The optimized model presents high accuracy in automatically interpreting the mass chromatogram,with R2values typically above 0.85 and0.80 for the thermal maturity and parent material interpretation results,*** significance of this research is twofold:(i)developing an efficient technique for geochemical research;(ii)more importantly,demonstrating the potential of artificial intelligence in organic geochemistry and providing vital references for future related studies.

关键词： Organic geochemistry Biomarker Mass chromatographic analysis Automated interpretation Convolution neural network Machine learning

Strenghening mechanism of graphene/Ni nanolayered composite nanowires under uniaxial compression

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Science China(Physics,Mechanics & Astronomy) 2016年第3期59卷 107-108页

作者： Zhen Yu Yang Jian Sun zi xing lu Wen Jun Hu Institute of Solid Mechanics Beihang University Institute of Structure Mechanics China Academy of Engineering Physics

Dear Editors,Graphene exhibits excellent mechanical properties and at- tracts great attention and intensive study in applied physics and material science [1]. In particular, the extreme sur- face-to-volume ratio of graphene makes it possible to be an ideal reinforcement for nanocomposites. Over the past dec- ade, researchers have synthesized graphene-based nano- composites with superior mechanical properties [2]. Kim et al. [3] recently successfully fabricated Cu- and Ni- matrices nanolayered composites reinforced by only a single layer of graphene and the experiments showed that the strength of the composites can be highly enhanced. As a consequence, the strengthening mechanisms of graphene/metal nanolay- ered composites aroused great interest in recent years.

关键词：纳米线石墨压缩机制纳米复合单轴复合材料镍材料科学

Analysis and simulation for tensile behavior of anisotropic open-cell elastic foams

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Applied Mathematics and Mechanics(English Edition) 2014年第11期35卷 1437-1446页

作者：卢子兴刘强陈鑫 School of Aeronautical Science and Engineering Beijing University of Aeronautics and Astronautics

Based on the elongated Kelvin obtained to investigate the tensile behavior Kelvin model＇s periodicity and symmetry in model, a simplified periodic structural cell is of anisotropic open-cell elastic foams due to the whole space. The half-strut element and elastic deflection theory are used to analyze the tensile response as done in the previous studies. This study produces theoretical expressions for the tensile stress-strain curve in the rise and transverse directions. In addition, the theoretical results are examined with finite element simulation using an existing formula. The results indicate that the theoretical analysis agrees with the finite element simulation when the strain is not too high, and the present model is better. At the same time, the anisotropy ratio has a significant effect on the mechanical properties of foams. As the anisotropy ratio increases, the tensile stress is improved in the rising direction but drops in the transverse direction under the same strain.

关键词： open-cell foam elastic deformation Kelvin model anisotropy tensile property

Description of Superdeformed Triaxial Band in ^(163)lu

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Chinese Physics Letters 1998年第3期15卷 170-172页

作者： xing Zheng WANG zi-xing CHEN xing-qu Department of Modern Physics Lanzhou UniversityLanzhou 730000 Institute of Nuclear Research Chinese Academy of SciencesShanghai 201800

Using triaxial-particle-rotor model,theγ-transition energies,kinematic and dynamic moments of inertia and the transition quadrupole moments forπ[6601/2]band in ^(163)lu are calculated and compared with the observed ... 详细信息

关键词： moments inertia

Numerical Modeling of the Compression Process of Elastic Open-cell Foams

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Chinese Journal of Aeronautics 2007年第3期20卷 215-222页

作者： ZHANG Jia-lei lu zi-xing Institute of Solid Mechanics Beijing University of Aeronautics and Astronautics Beijing 100083 China

The random models of open-cell foams that can reflect the actual cell geometrical properties are constructed with the Voronoi technique. The compression process of elastic open-cell foams is simulated with the nonlinear calculation module of finite element analysis program. In order to get the general results applicable to this kind of materials, the dimensionless compressive stress is used and the stress-strain curves of foam models with different geometrical properties are obtained. Then, the influences of open-cell geometrical properties, including the shape of strut cross section, relative density and cell shape irregularity, on the compressive nonlinear mechani- cal performance are analyzed. In addition, the numerical results are compared with the predicted results of cubic staggering model. Nu- merical results indicate that the simulated results reflect the compressive process of foams quite well and the geometrical properties of cell have significant influences on the nonlinear mechanical behavior of foams.

关键词： Voronoi technique open-cell foam nonlinear compressive stress

De novo synthesis of atropisomeric benzofurans via Cu/SPDO complex catalyzed asymmetric formal [3 + 2] annulation

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Science China Chemistry 2025年第1期 174-180页

作者： Fan-Xiao Meng xing-Yu Wang Ka lu Ju-Song Yang Fu-Min Zhang Ai-Jun Ma Bao Du Yong-Qiang Tu State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical Engineering Lanzhou University School of Chemistry and Chemical Engineering Shanghai Jiao Tong University School of Biotechnology and Health Sciences Wuyi University

Herein, the de novo synthesis of atropisomeric benzofurans through the Cu/spirocyclic-pyrrolidine-oxazoline(SPDO) complex catalyze asymmetric formal [3 + 2] cycloaddition between quinones and ynamides is explored, producing a range of structurally diverse axially chiral benzofurans in satisfactory yields with good to excellent enantioselectivities. Furthermore, density functional theory calculations were applied to explain the possible reaction mechanism.

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An embedded electron current layer observed at the edge of the plasma sheet in the Earth’s magnetotail

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Earth and Planetary Physics 2025年第1期9卷 148-158页

作者： ChenChen Zhan RongSheng Wang QuanMing lu San lu XinMin Li Deep Space Exploration Laboratory/School of Earth and Space Sciences University of Science and Technology of ChinaHefei 230026China Chinese Academy of Sciences(CAS)Center for Excellence in Comparative Planetology/CAS Key Laboratory of Geospace Environment/Anhui Mengcheng National Geophysical Observatory University of Science and Technology of ChinaHefei 230026China Collaborative Innovation Center of Astronautical Science and Technology Harbin 150001China

The formation of an embedded electron current sheet within the magnetotail plasma sheet has been poorly *** this article,we present an electron current layer detected at the edge of the magnetotail plasma *** ions were demagnetized inside the electron current layer,but the electrons were still frozen in with the magnetic field ***,this decoupling of ions and electrons gave rise to a strong Hall electric field,which could be the reason for the formation of the embedded thin current *** magnetized electrons,the absence of the nongyrotropic electron distribution,and negligible energy dissipation in the layer indicate that magnetic reconnection had not been triggered within the embedded thin current *** highly asymmetric plasma on the two sides of the current layer and low magnetic shear across it could suppress magnetic *** observations indicate that the embedded electric current layer,probably generated by the Hall electric field,even down to electron scale,is not a sufficient condition for magnetic reconnection.

关键词： magnetotail plasma sheet magnetic reconnection

Controllable synthesis of biomimetic wood stem nanoporous high entropy oxides catalysts for oxygen evolution reaction

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Nano Research 2025年第1期18卷 107-117页

作者： Wei Wang Weiqi Wang Huihui Wang xing lu Jinwen Zhang Yunzhuo lu School of Materials Science and Engineering Dalian Jiaotong UniversityDalian 116028China School of Intelligence and Electronic Engineering Dalian Neusoft University of InformationDalian 116023China Guangdong Key Laboratory of Materials and Equipment in Harsh Marine Environment Guangzhou Maritime UniversityGuangzhou 510725China

Bubbles generated during the oxygen evolution reaction(OER)in water splitting readily adhere to the electrode surface,thereby impeding contact between the electrolyte and the active sites,thereby increasing the ***,it is imperative to elucidate the bubble release behavior and engineer electrodes that facilitate faster bubble *** this study,inspired by the wood stem of the Norway spruce,we synthesized a gradient nanoporous high-entropy oxide(GNP-HEO)electrode with a controllable pore *** GNP-HEO,featuring a well-controlled gradient in pore size,is achieved through a straightforward strategy combining selective laser melting with selective phase *** unique gradient nanoporous structure not only facilitates bubble release but also diminishes the bubble shielding effect in OER,thereby enhancing electrocatalytic *** affect interaction of Al,Co,Cr,Fe,and Ni,coupled with the gradient nanoporous structure,yields exceptional OER performance,evidenced by an overpotential of 250 mV at a current density of 50 mA/cm^(2) and a Tafel slope of 38.0 mV/dec in 1 M *** functional theory calculations confirm that the GNPHEO adheres to the adsorbate evolution mechanism reaction pathway and exhibits significant *** work highlights a promising approach for the design and synthesis of high-performance OER electrocatalysts.

关键词： oxygen evolution reaction high-entropy oxides selective phase dis-solution selective laser melting gradient nanoporous

Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： Jia Zhao Taixi Feng Guimin lu National Engineering Research Center for Integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint International Laboratory for Potassium and Lithium Strategic Resources East China University of Science and TechnologyShanghai 200237China

The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation