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npj Computational Materials 2022年第1期8卷 2322-2330页

作者： Rees Chang yu-xiong wang Elif Ertekin Department of Materials Science and Engineering University of Illinois at Urbana-Champaign1304 West Green StreetUrbana61801ILUSA Department of Computer Science University of Illinois at Urbana-Champaign201 North Goodwin AvenueUrbana61801ILUSA Materials Research Laboratory University of Illinois at Urbana-Champaign104 South Goodwin AvenueUrbana61801ILUSA Department of Mechanical Science and Engineering University of Illinois at Urbana-Champaign1206 West Green StreetUrbana61801ILUSA

While machine learning has emerged in recent years as a useful tool for the rapid prediction of materials properties,generating sufficient data to reliably train models without overfitting is often *** overcoming this limitation,we present a general framework for leveraging complementary information across different models and datasets for accurate prediction of data-scarce materials *** approach,based on a machine learning paradigm called mixture of experts,outperforms pairwise transfer learning on 14 of 19 materials property regression tasks,performing comparably on four of the remaining *** approach is interpretable,model-agnostic,and scalable to combining an arbitrary number of pre-trained models and datasets to any downstream property prediction *** anticipate the performance of our framework will further improve as better model architectures,new pre-training tasks,and larger materials datasets are developed by the community.

关键词： prediction mixture property

Prediction of intrusive gas pores caused by resin burning in sand core for iron castings

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China Foundry 2025年第1期22卷 23-32页

作者： Ji-wu wang Xiao-long wang yu-cheng Sun yu-hang Huang Xiu-ming Chen xiong-zhi Wu Na Li Jin-wu Kang Tao Jing Tian-you Huang Hai-liang yu School of Mechanical Electronic and Control EngineeringBeijing Jiaotong UniversityBeijing 100044China Weichai Power Co. Ltd.Weifang 261061ShandongChina School of Mechanical Engineering Central South UniversityChangsha 41000China School of Materials Science and Engineering Key Laboratory for Advanced Materials Processing TechnologyTsinghua UniversityBeijing 100084China

In the production of castings,intrusive gas pore represents a kind of common defects which can lead to leakage in high gas-tightness requirement castings,such as cylinder blocks and cylinder heads for *** occurs due to the intrusion of gases generated during the resin burning of the sand core into castings during the casting ***,a gas generation and flow constitution model was established,in which the gas generation rate is a function of temperature and time,and the flow of gas is controlled by the gas release,conservation,and Darcy's *** heat transfer and gas flow during casting process was numerically *** dangerous point of cores is firstly identified by a virtual heat transfer method based on the similarity between heat transfer and gas flow in the sand *** gas pores in castings are predicted by the gas pressure,the viscosity and state of the melt for these dangerous *** distinct sand core structures were designed and used for the production of iron castings,and the simulated gas pore results were validated by the obtained castings.

关键词： gas pore numerical simulation iron casting sand core resin

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Efficiency improvement for post-sulfurized CIGS solar cells enabled by in situ Na doping

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Journal of Energy Chemistry 2025年第2期101卷 324-332页

作者： Zeran Gao yuchen xiong Jiawen wang Shanshan Tian Wanlei Dai Haoyu Xu Xinzhan wang Chao Gao Yali Sun Wei yu National-Local Joint Engineering Laboratory of New Energy Photovoltaic Devices Key Laboratory of Brain-like Neuromorphic Devices and Systems of Hebei Province Hebei University

Despite sulfurization offers the advantage of improving the photovoltaic performance in preparing Cu（In,Ga）Se2（CIGS） absorbers,deep level defects in the absorber and poor energy level alignment on the front surface are still main obstacles limiting the improvement of power co nversion efficiency（PCE） in sulfided CIGS solar ***,an in-situ Na doping strategy is proposed,in which the tailing effect of crystal growth is used to promote the sulfurization of CIGS *** is found that the grain growth is supported by Na incorporating due to the enrichment of NaSexnear the upper *** high soluble Na during grain growth can not only suppress intrinsic InCudonor defects in the absorber,but also tailor S distribution in bulk and the band alignment at the heterojunction,which are both beneficial for the effective electron ***,the Na aggregation near the bottom of the absorber also contributes to the crystalline quality increasing and favorable ultra-thin MoSe2formation at back contact,resulting in a reduced barrier height conducive to hole *** of the champion device is as high as 16.76% with a 28% *** research offers new insights into synthesizing CIGS solar cells and other chalcogenide solar cells with superior cell performance when using an intense sulfurization process.

关键词： CBO CIGS Defect In situ doping Sulfurization

The photo-based treatment technology simultaneously removes resistant bacteria and resistant genes from wastewater

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Journal of Environmental Sciences 2025年第2期148卷 243-262页

作者： Zicong Guo Xiang Tang Wenjun wang Zhangxiong Luo yuxi Zeng Nan Zhou Zhigang yu Dongbo wang Biao Song Chengyun Zhou Weiping xiong College of Environmental Science and Engineering and Key Laboratory of Environmental Biology and Pollution Control(Ministry of Education) Hunan UniversityChangsha 410082China Fujian Provincial Key Laboratory of Soil Environmental Health and Regulation College of Resources and EnvironmentFujian Agriculture and Forestry UniversityFuzhou 350002China School of Resources and Environment Hunan University of Technology and BusinessChangsha 410205China Australian Centre for Water and Environmental Biotechnology The University of QueenslandBrisbaneQLD 4072Australia

Because of the recent widespread usage of antibiotics,the acquisition and dissemination of antibiotic-resistance genes(ARGs)were prevalent in the majority of ***,the biological wastewater treatment processes used in wastewater treatment plants have a limited efficiencies of antibiotics resistant bacteria(ARB)disinfection and ARGs degradation and even promote the proliferation of ***,ARB and ARGs in effluent pose potential risks if they are not further *** oxidation is considered a promising disinfection technology,where the photocatalytic process generates many free radicals that enhance the interaction between light and deoxyribonucleic acid(DNA)for ARB elimination and subsequent degradation of *** reviewaims to illustrate the progress of photocatalytic oxidation technology for removing antibiotics resistant(AR)from wastewater in recent *** discuss the sources and transfer of ARGs in *** overall removal efficiencies of ultraviolet radiation(UV)/chlorination,UV/ozone,UV/H_(2)O_(2),and UV/sulfate-radical based system for ARB and ARGs,as well as the experimental parameters and removal mechanisms,are systematically *** contribution of photocatalytic materials based on TiO_(2) and g-C_(3)N_(4) to the inactivation of ARB and degradation of ARGs is highlighted,producingmany free radicals to attack ARB and ARGs while effectively limiting the horizontal gene transfer(HGT)in ***,based on the reviewed studies,future research directions are proposed to realize specific photocatalytic oxidation technology applications and overcome current challenges.

关键词： Antibiotics resistant genes Antibiotics resistant bacteria Photocatalytic oxidation

Hemispheric asymmetries and network dysfunctions in adolescent depression:A neuroimaging study using resting-state functional magnetic resonance imaging

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World Journal of Psychiatry 2025年第2期15卷 100-108页

作者： Ying xiong Ren-Qiang yu Xing-yu wang Shun-Si Liang Jie Ran Xiao Li Yi-Zhi Xu Department of Hematology Chongqing General HospitalChongqing UniversityChongqing 401147China Department of Radiology The First Affiliated Hospital of Chongqing Medical UniversityChongqing 400016China Department of Psychiatry The First Affiliated Hospital of Chongqing Medical UniversityChongqing 400016China

BACKGROUND Currently,adolescent depression is one of the most significant public health concerns,markedly influencing emotional,cognitive,and social *** advancements in distinguish the neurobiological substrates underlying depression,the intricate patterns of disrupted brain network connectivity in adolescents warrant further *** To elucidate the neural correlates of adolescent depression by examining brain network connectivity using resting-state functional magnetic resonance imaging(rs-fMRI).METHODS The study cohort comprised 74 depressed adolescents and 59 healthy controls aged 12 to 17 *** underwent rs-fMRI to evaluate functional connectivity within and across critical brain networks,including the visual,default mode network(DMN),dorsal attention,salience,somatomotor,and frontoparietal control *** Analyses revealed pronounced functional disparities within key neural circuits among adolescents with *** results demonstrated existence of hemispheric asymmetries characterized by enhanced activity in the left visual network,which contrasted the diminished activity in the right *** DMN facilitated increased activity within the left prefrontal cortex and reduced engagement in the right hemisphere,implicating disrupted self-referential and emotional processing ***,an overactive right dorsal attention network and a hypoactive salience network were identified,underscoring significant abnormalities in attentional and emotional regulation in adolescent *** The findings from this study underscore distinct neural connectivity disruptions in adolescent depression,underscoring the critical role of specific neurobiological markers for precise early diagnosis of adolescent *** observed functional asymmetries and network-specific deviations elucidate the complex neurobiological architecture of adolescent depression,supporting the development of targeted the

关键词： Adolescent depression Brain network connectivity Neuroimaging biomarkers Functional magnetic resonance imaging Default mode network Salience network Hemispheric asymmetry

Development and application of an intelligent thermal state monitoring system for sintering machine tails based on CNN-LSTM hybrid neural networks

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Journal of Iron and Steel Research International 2025年第1期32卷 52-63页

作者： Da-lin xiong Xin-yu Zhang Zheng-wei yu Xue-feng Zhang Hong-ming Long Liang-jun Chen Anhui Province Key Laboratory of Metallurgical Engineering&Resources Recycling Anhui University of TechnologyMa’anshan243002AnhuiChina School of Metallurgical Engineering Anhui University of TechnologyMa’anshan243032AnhuiChina School of Computer Science Anhui University of TechnologyMa’anshan243032AnhuiChina

Real-time prediction and precise control of sinter quality are pivotal for energy saving,cost reduction,quality improvement and efficiency enhancement in the ironmaking *** advance,the accuracy and comprehensiveness of sinter quality prediction,an intelligent flare monitoring system for sintering machine tails that combines hybrid neural networks integrating convolutional neural network with long short-term memory(CNN-LSTM)networks was *** system utilized a high-temperature thermal imager for image acquisition at the sintering machine tail and employed a zone-triggered method to accurately capture dynamic feature images under challenging conditions of high-temperature,high dust,and *** feature images were then segmented through a triple-iteration multi-thresholding approach based on the maximum between-class variance method to minimize detail loss during the segmentation *** the advantages of CNN and LSTM networks in capturing temporal and spatial information,a comprehensive model for sinter quality prediction was constructed,with inputs including the proportion of combustion layer,porosity rate,temperature distribution,and image features obtained from the convolutional neural network,and outputs comprising quality indicators such as underburning index,uniformity index,and FeO content of the *** accuracy is notably increased,achieving a 95.8%hit rate within an error margin of±*** the system is applied,the average qualified rate of FeO content increases from 87.24%to 89.99%,representing an improvement of 2.75%.The average monthly solid fuel consumption is reduced from 49.75 to 46.44 kg/t,leading to a 6.65%reduction and underscoring significant energy saving and cost reduction effects.

关键词： Sinter quality Convolutional neural network Long short-term memory Image segmentation FeO prediction

Interface engineering of Pt/CeO2-{100} catalysts for enhancing catalytic activity in auto-exhaust carbon particles oxidation

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Chinese Chemical Letters 2025年第2期36卷 195-200页

作者： Peng Zhang Yitao Yang Tian Qin Xueqiu Wu yuechang Wei Jing xiong Xi Liu yu wang Zhen Zhao Jinqing Jiao Liwei Chen State Key Laboratory of Heavy Oil Processing Key Laboratory of Optical Detection Technology for Oil and GasCollege of ScienceChina University of Petroleum School of Chemistry and Chemical In-situ Center for Physical SciencesFrontiers Science Center for Transformative MoleculesShanghai Jiao Tong University School of Chemistry and Chemical Engineering Ningxia University School of Environmental Science and Engineering Yancheng Institute of Technology State Key Laboratory of Chemical Safety SINOPEC Research Institute of Safety Engineering Co.Ltd.

Herein,we fabricate an embedding structure at the interface between Pt nanoparticles （NPs） and CeO2-{100}nanocubes with surface defect sites （CeO2-SDS） through quenching and gas bubbling-assisted membrane reduction *** in-situ substitution of Pt NPs for atomic-layer Ce lattice significantly increases the amount of reactive oxygen species from 133.68μmol/g to 199.44μmol/*** a result,the distinctive geometric structure of Pt/CeO2-SDS catalyst substantially improves the catalytic activity and stability for soot oxidation compared with the catalyst with no quenching process,i.e.,its T50and TOF values are 332°C and 2.915 h-1,*** with the results of experimental investigations and density functional theory calculations,it is unveiled that the unique embedding structure of Pt/CeO2-SDS catalyst can facilitate significantly electron transfer from Pt to the CeO2-{100}support,and induce the formation of interfacial[Ce-Ox-Pt2]bond chains,which plays a crucial role in enhancing the key step of soot oxidation through the dual activation of surface lattice oxygen and molecular *** a fundamental revelation of the interfacial electronic transmission and corresponding modification strategy contributes a novel opportunity to develop high-efficient and stable noble metal catalysts at the atomic level.

关键词： Catalytic oxidation Defective ceria Nanocube Pt NPs Soot particles

Influence of introducing Zr,Ti,Nb and Ce elements on externally solidified crystals and mechanical properties of high-pressure die-casting Al–Si alloy

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 147-153页

作者： Junjie Li Wenbo yu Zhenyu Sun Weichen Zheng Liangwei Zhang Yanling Xue Wenning Liu Shoumei xiong Center of Materials Science and Engineering School of Mechanical and Electronic Control EngineeringBeijing Jiaotong UniversityBeijing 100044China Traffic&Transportation Engineering Central South UniversityChangsha 410075China Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204China School of Materials Science and Engineering Tsinghua UniversityBeijing 100084China

High pressure die casting(HPDC)AlSi10Mn Mg alloy castings are widely used in the automobile *** can optimize the mechanical properties of castings through heat treatment,while the release of thermal stress arouses the deformation of large integrated ***,the development of non-heat treatment Al alloys is becoming the hot *** addition,HPDC contains externally solidified crystals(ESCs),which are detrimental to the mechanical properties of *** achieve high strength and toughness of non-heat treatment die-casting Al-Si alloy,we used AlSi9Mn alloy as matrix with the introduction of Zr,Ti,Nb,and *** influences on ESCs and mechanical properties were systematically investigated through three-dimensional reconstruction and thermodynamic *** results reveal that the addition of Ti increased ESCs'size and porosity,while the introduction of Nb refined ESCs and decreased ***,large-sized Al_3(Zr,Ti)phases formed and degraded the mechanical *** introduction of Ce resulted in the poisoning effect and reduced mechanical properties.

关键词： aluminium alloy high-pressure die-casting externally solidified crystals non-heat treatment

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Hypercoagulation after neoadjuvant immunochemotherapy as a new prognostic indicator in patients with locally advanced gastric cancer undergoing surgery

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World Journal of Gastrointestinal Oncology 2025年第3期17卷 91-103页

作者： Tian-Hao Li xiong Sun Cheng-Guo Li yu-Ping Yin Kai-xiong Tao Department of Gastrointestinal Surgery Union HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430022Hubei ProvinceChina

BACKGROUND Coagulation status is closely related to the progression of malignant *** the era of neoadjuvant immunochemotherapy(NICT),the prognostic utility of coagulation indicators in patients with locally advanced gastric cancer(LAGC)undergoing new treatments remains to be *** To determine whether hypercoagulation is an effective prognostic indicator in patients with LAGC who underwent radical resection after *** A retrospective analysis of clinical data from 104 patients with LAGC,who underwent radical resection after NICT between 2020 and 2023,was *** and fibrinogen concentrations were measured one week before NICT,and again one week before surgery,to analyze the association between these two indicators and their combined indices[non-hypercoagulation(D-dimer and fibrinogen concentrations within the upper limit of normal)vs hypercoagulation(D-dimer or fibrinogen concentrations above the upper limit of normal)]with *** radical resection,patients were followed-up *** median follow-up duration was 21 *** Data collected after NICT revealed that the three-year overall survival(OS)and disease-free survival(DFS)rates the non-hypercoagulation group were significantly better than those in the hypercoagulation group[94.4%vs 78.0%(P=0.019)and 87.0%vs 68.0%(P=0.027),respectively].Multivariate analysis indicated that hypercoagulation after NICT was an independent factor for poor postoperative OS[hazard ratio(HR)4.436,P=0.023]and DFS(HR 2.551,P=0.039).Pre-NICT data demonstrated no statistically significant difference in three-year OS between the non-hypercoagulation and hypercoagulation groups(88.3%vs 84.1%,respectively;P=0.443).CONCLUSION Hypercoagulation after NICT is an effective prognostic indicator in patients with LAGC undergoing radical gastrectomy.

关键词： Locally advanced gastric cancer Coagulation Neoadjuvant immunochemotherapy Prognosis Radical gastrectomy

Predicting the efficiency of arsenic immobilization in soils by biochar using machine learning

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Journal of Environmental Sciences 2025年第1期147卷 259-267页

作者： Jin-Man Cao yu-Qian Liu Yan-Qing Liu Shu-Dan Xue Hai-Hong xiong Chong-Lin Xu Qi Xu Gui-Lan Duan State Key Lab of Urban and Regional Ecology Research Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China Henan Institute of Advanced Technology Zhengzhou UniversityZhengzhou 450052China University of Chinese Academy of Sciences Beijing 100049China

Arsenic(As)pollution in soils is a pervasive environmental *** immobilization offers a promising solution for addressing soil As *** efficiency of biochar in immobilizing As in soils primarily hinges on the characteristics of both the soil and the ***,the influence of a specific property on As immobilization varies among different studies,and the development and application of arsenic passivation materials based on biochar often rely on empirical *** enhance immobilization efficiency and reduce labor and time costs,a machine learning(ML)model was employed to predict As immobilization efficiency before biochar *** this study,we collected a dataset comprising 182 data points on As immobilization efficiency from 17 publications to construct three ML *** results demonstrated that the random forest(RF)model outperformed gradient boost regression tree and support vector regression models in predictive *** importance analysis and partial dependence plots based on the RF model were conducted to identify the most crucial factors influencing As *** findings highlighted the significant roles of biochar application time and biochar pH in As immobilization efficiency in ***,the study revealed that Fe-modified biochar exhibited a substantial improvement in As *** insights can facilitate targeted biochar property design and optimization of biochar application conditions to enhance As immobilization efficiency.

关键词： Biochar Arsenic immobilization Soil Machine learning