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Dynamic Multi-Graph Spatio-Temporal Graph Traffic Flow Prediction in Bangkok:An Application of a Continuous Convolutional Neural Network

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Computer Modeling in engineering & Sciences 2025年第1期142卷 579-607页

作者： Pongsakon Promsawat Weerapan Sae-dan Marisa Kaewsuwan Weerawat Sudsutad Aphirak Aphithana department of Civil engineering Faculty of EngineeringRamkhamkaeng UniversityBangkok10240Thailand department of Computer engineering Faculty of EngineeringRamkhamkaeng UniversityBangkok10240Thailand department of Statistics Faculty of ScienceRamkhamkaeng UniversityBangkok10240Thailand

The ability to accurately predict urban traffic flows is crucial for optimising city ***,various methods for forecasting urban traffic have been developed,focusing on analysing historical data to understand complex mobility *** learning techniques,such as graph neural networks(GNNs),are popular for their ability to capture spatio-temporal ***,these models often become overly complex due to the large number of hyper-parameters *** this study,we introduce Dynamic Multi-Graph Spatial-Temporal Graph Neural Ordinary Differential Equation Networks(DMST-GNODE),a framework based on ordinary differential equations(ODEs)that autonomously discovers effective spatial-temporal graph neural network(STGNN)architectures for traffic prediction *** comparative analysis of DMST-GNODE and baseline models indicates that DMST-GNODE model demonstrates superior performance across multiple datasets,consistently achieving the lowest Root Mean Square Error(RMSE)and Mean Absolute Error(MAE)values,alongside the highest *** the BKK(Bangkok)dataset,it outperformed other models with an RMSE of 3.3165 and an accuracy of 0.9367 for a 20-min interval,maintaining this trend across 40 and 60 ***,on the PeMS08 dataset,DMST-GNODE achieved the best performance with an RMSE of 19.4863 and an accuracy of 0.9377 at 20 min,demonstrating its effectiveness over longer *** Los_Loop dataset results further emphasise this model’s advantage,with an RMSE of 3.3422 and an accuracy of 0.7643 at 20 min,consistently maintaining superiority across all time *** numerical highlights indicate that DMST-GNODE not only outperforms baseline models but also achieves higher accuracy and lower errors across different time intervals and datasets.

关键词： Graph neural networks convolutional neural network deep learning dynamic multi-graph spatio-temporal

Tuning the interfacial reaction environment via pH-dependent and induced ions to understand C–N bonds coupling performance in NO3- integrated CO2 reduction to carbon and nitrogen compounds over dual Cu-based N-doped carbon catalyst

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Journal of Energy Chemistry 2025年第1期100卷 273-285页

作者： Tianhang Zhou Chen Shen Zhenghao Wu Xingying Lan Yi Xiao College of Carbon Neutrality Future Technology State Key Laboratory of Heavy Oil Processing China University of Petroleum (Beijing) Institute of materials Science TU Darmstadt department of Chemistry Xi'an Jiaotong-Liverpool University department of Mechanical and Mechatronics engineering and Waterloo Institute of Nanotechnology University of Waterloo Waterloo

Dual atomic catalysts （DAC）,particularly copper （Cu2）-based nitrogen （N） doped graphene,show great potential to effectively convert CO2and nitrate （NO3-） into important industrial chemicals such as ethylene,glycol,acetamide,and urea through an efficient catalytical process that involves C–C and C–N ***,the origin of the coupling activity remained unclear,which substantially hinders the rational design of Cu-based catalysts for the N-integrated CO2reduction reaction （CO2RR）.To address this challenge,this work performed advanced density functional theory calculations incorporating explicit solvation based on a Cu2-based N-doped carbon (Cu2N6C10) catalyst for *** calculations are aimed to gain insight into the reaction mechanisms for the synthesis of ethylene,acetamide,and urea via coupling in the interfacial reaction *** to the sluggishness of CO2,the formation of a solvation electric layer by anions （F-,Cl-,Br-,and I-） and cations (Na+,Mg2+,K+,and Ca2+) leads to electron transfer towards the Cu *** process significantly accelerates the reduction of *** results reveal that*CO intermediates play a pivotal role in N-integrated ***,the Cu2-based N-doped carbon catalyst examined in this study has demonstrated the most potential for C–N coupling to *** findings reveal that through the process of a condensation reaction between*CO and NH2OH for urea synthesis,*NO3-is reduced to*NH3,and*CO2to*CCO at dual Cu atom *** dual-site reduction facilitates the synthesis of acetamide through a nucleophilic reaction between NH3and the ketene ***,we found that the I-and Mg2+ions,influenced by pH,were highly effective for acetamide and ammonia synthesis,except when F-and Ca2+were ***,the mechanisms of C–N bond formation were investigated via ab-initio molecular dynamics simulations,and we found that adjusting the micro-environment can change the dominant side reaction,shift

关键词： Condensation reactions

Mechanochemical leaching of chalcopyrite concentrate by sulfuric acid

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International Journal of Minerals,Metallurgy and materials 2016年第4期23卷 380-388页

作者： Farhad Khorramshahi Mohammadabad Sina Hejazi Jalil Vahdati khaki Abolfazl Babakhani materials and metallurgical engineering department Faculty of Engineering Ferdowsi University of Mashhad materials and metallurgical engineering department Faculty of Engineering University of Tehran

This study aimed to introduce a new cost-effective methodology for increasing the leaching efficiency of chalcopyrite concentrates at ambient temperature and pressure. Mechanical activation was employed during the leaching（mechanochemical leaching） of chalcopyrite concentrates in a sulfuric acid medium at room temperature and atmospheric pressure. High energy ball milling process was used during the leaching to provide the mechanochemical leaching condition, and atomic absorption spectroscopy and cyclic voltammetry were used to determine the leaching behavior of chalcopyrite. Moreover, X-ray diffraction and scanning electron microscopy were used to characterize the chalcopyrite powder before and after leaching. The results demonstrated that mechanochemical leaching was effective; the extraction of copper increased significantly and continuously. Although the leaching efficiency of chalcopyrite was very low at ambient temperature, the percentages of copper dissolved in the presence of hydrogen peroxide（H2O2） and ferric sulfate（Fe2（SO4）3） after 20 h of mechanochemical leaching reached 28% and 33%, respectively. Given the efficiency of the developed method and the facts that it does not require the use of an autoclave and can be conducted at room temperature and atmospheric pressure, it represents an economical and easy-to-use method for the leaching industry.

关键词： chalcopyrite mechanical activation mechanochemical leaching sulfuric acid cyclic voltammetry

Unraveling the impacts of intermolecular interaction on morphology evolution for highly efficient organic solar cells and modules

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Science China Chemistry 2025年第01期 264-272页

作者： Xueqing Ma Yingying Cheng Yuqiang Liu Xinming Zheng Guangliu Ran Hongxiang Li Xinyue Cui Andong Zhang Wenkai Zhang Pei Cheng Wenchao Huang Zhishan Bo Beijing Key Laboratory of Energy Conversion and Storage materials College of Chemistry Beijing Normal University College of Textiles and Clothing State Key Laboratory of Bio-fibers and Eco-textiles Qingdao University Key State Laboratory of Advanced Technology for materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of Technology department of Physics and Applied Optics Beijing Area Major Laboratory Center for Advanced Quantum Studies Beijing Normal University State Key Laboratory of Polymer materials engineering College of Polymer Science and Engineering Sichuan University

Understanding the effect of intermolecular interaction on the growth dynamic of active layers is critical for advancing organic solar cells(OSCs). However, the diverse structure of donors and acceptors makes the research challenging. Additives with customizable structures and properties could simplify this complexity. Herein, we meticulously tailor two additives of 3,4-ethylenedioxythiophene(EDOT) and 2,5-dibromo-3,4-ethylenedioxythiophene(DBEDOT), possessing distinct intermolecular interaction features to elaborate the inherent relationship. It is found that varied interaction strengths can alter film formation processes. The enhanced intermolecular interaction between the DBEDOT and non-fullerene acceptor BTP-e C9-4F results in pre-aggregation and longer crystallization duration of BTP-e C9-4F, facilitating the formation of films with compact molecular packing and decent phase separation. Thus, exciton dissociation and charge transport become more efficient. Finally, devices processed with DBEDOT exhibit a remarkable power conversion efficiency of 19.35% in small-area OSCs and 14.11% in bladecoated 5 cm × 5 cm organic solar mini-modules. Especially, OSCs can maintain 80% of their initial efficiency after continuous annealing at 85 °C for over 2,100 h.

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An Unprecedented Efficiency with Approaching 21%Enabled by Additive‑Assisted Layer‑by‑Layer Processing in Organic Solar Cells

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Nano-Micro Letters 2025年第2期17卷 372-375页

作者： Shuai Xu Youdi Zhang Yanna Sun Pei Cheng Zhaoyang Yao Ning Li Long Ye Lijian Zuo Ke Gao Key Laboratory of Advanced Green Functional materials College of ChemistryChangchun Normal UniversityChangchun 130032People’s Republic of China Shandong Provincial Key Laboratory for Science of Material Creation and Energy Conversion School of Chemistry and Chemical EngineeringShandong UniversityQingdao 266237People’s Republic of China College of Polymer Science and engineering Sichuan UniversityChengdu 610065People’s Republic of China State Key Laboratory and Institute of Elemento‑Organic Chemistry Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer MaterialsRenewable Energy Conversion and Storage Center(RECAST)College of ChemistryNankai UniversityTianjin 300071People’s Republic of China Institute of Polymer Optoelectronic materials and Devices State Key Laboratory of Luminescent materials and Devices South China University of TechnologyGuangzhou 510640People’s Republic of China Tianjin Key Laboratory of Molecular Optoelectronic Sciences School of Materials Science and EngineeringTianjin UniversityTianjin 300350People’s Republic of China State Key Laboratory of Silicon materials MOE Key Laboratory of Macromolecular Synthesis and FunctionalizationDepartment of Polymer Science and EngineeringZhejiang UniversityHangzhou 310027People’s Republic of China

Recently published in Joule,Feng Liu and colleagues from Shanghai Jiaotong University reported a record-breaking 20.8%power conversion efficiency in organic solar cells(OSCs)with an interpenetrating fibril network active layer morphology,featuring a bulk p-in structure and proper vertical segregation achieved through additive-assisted layer-by-layer *** optimized hierarchical gradient fibrillar morphology and optical management synergistically facilitates exciton diffusion,reduces recombination losses,and enhances light capture *** approach not only offers a solution to achieving high-efficiency devices but also demonstrates the potential for commercial applications of OSCs.

关键词： Organic solar cells Additive-assisted layer-by-layer processing Three-dimensional fibril morphology Bulk p-i-n structure Optical management

In Situ Aluminum Alloy Coating on Magnesium by Hot Pressing

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Acta Metallurgica Sinica(English Letters) 2015年第8期28卷 1059-1064页

作者： Ridvan Yamanoglu department of metallurgical and materials engineering Kocaeli University

In the present study, pure magnesium was in situ coated with pre-alloyed Al–Cu–Mg alloy through hot pressing. The produced samples were characterized by means of hardness, wear properties and microstructure characterization. A ball-on-disk test was used to determine the dry sliding wear characteristics of the compacts. The results showed that the hot pressing technique has been successfully applied for producing magnesium parts with compatible wear resistance and hardness to aluminum. The in situ coating of Al on Mg by hot pressing resulted in an increase in hardness of about 30% compared with the pure Mg substrate. The wear rate and friction coefficient of the samples decreased with Al coating and increased with an increase in the applied load during the wear tests, compared with the uncoated material.

关键词： Magnesium Powder metallurgy Coating Al–Cu–Mg alloy Hot pressing

Optimization of selective copper extraction from chalcopyrite concentrate in presence of ammonium persulfate and ammonium hydroxide

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International Journal of Minerals,Metallurgy and materials 2019年第8期26卷 946-952页

作者： Mehmet Deniz Turan department of metallurgical and materials engineering Firat University

The dissolution of copper and iron from chalcopyrite concentrate in the presence of ammonium persulfate(APS)and ammonium hydroxide was investigated under atmospheric leaching *** were designed by central composite design(CCD).Under the optimum leaching conditions((NH4)2S2O8 concentration=328 g/L;NH4OH addition=16vol%;leaching temperature=321 K(48℃);leaching time=120 min;liquid-to-solid ratio=16;stirring speed=400 r/min),selective leaching was achieved.98.14%of the copper was leached,whereas iron did not pass into the solution.X-ray diffraction analysis of the leaching residue showed that iron compounds were *** the leaching results,the fact that the leaching process does not include uneconomical leaching stages such as extended milling/mechanical activation or high pressures/temperatures,and the low copper dissolution conditions,the attained selective leaching yield may be remarkable.

关键词： leaching complex reaction selectivity copper chalcopyrite

Li,Na,and Cs-based metal-organic frameworks for room temperature phosphorescence applications

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Science China Chemistry 2025年

作者： Jiaqi Ma Rui Feng Yanyuan Jia Mingshi Zhang Shuo Guo College of Chemistry and Chemical engineering Inner Mongolia University School of materials Science and engineering Smart Sensing Interdisciplinary Science Center Nankai University & TKL of Metal and Molecule Based Material Chemistry Key Laboratory of Advanced Energy materials Chemistry (Ministry of Education) Nankai University department of Chemistry and Biochemistry University of California San Diego

The conventional design of metal-organic frameworks (MOFs) with room-temperature phosphorescence (RTP) mostly relies on using heavy metals,as the heavy atom effect can effectively increase the efficiency of intersystem crossing (ISC) to get a better phosphorescence *** the first time,we reported the highly efficient RTP of a lithium-based MOF IMU-101 with a lifetime (τ) of 299 ms and a quantum yield (QY) of 4.91%.In addition,MOFs IMU-102 and IMU-103,with sodium and cesium as metal nodes,were successfully *** phosphorescence properties of this series of alkali metal MOFs were systematically studied and *** crystallography and computational calculation show that the mechanism for achieving RTP for this material lies in the ultrashort coordination bond of Li,which enables the reduction of non-radiative ***-101,as a cheap and environmentally friendly room-temperature phosphorescent material,has been further developed into composite polymer inks and bulk *** makes them promising for applications in anti-counterfeiting and information encryption.

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Effect of a Carbon Fibre-steel Fibre-graphite Conductive Filler on the Electrothermal Properties of Cementitious materials

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Journal of Wuhan University of Technology(materials Science) 2025年第1期40卷 141-151页

作者： FAN Yanan WEI Hong ZHENG Hongyong DU Hongxiu department of Architecture and Environmental engineering Taiyuan UniversityTaiyuan 030032China College of Civil engineering Taiyuan University of TechnologyTaiyuan 030032China

Carbon fibre,steel fibre and graphite were used as conductive fillers to prepare cementitious materials with excellent electrothermal *** electrically conductive cementitious materials with different volume dosages were analysed through compressive and flexural strength,electrochemical impedance spectroscopy and temperature rise *** equivalent circuit model was established to study the electrically conductive heat generation mechanism in the electrically conductive cementitious *** results indicate that the mechanical properties of cementitious composite materials with a ternary conductive phase are better than those of pristine cementitious materials because the fibrous filler improves their mechanical ***,the incorporation of graphite in the material reduces its *** fibrous and point-like conductive phase materials into the cementitious material enhances the overall conductive pathway and considerably reduces the electrical resistance of the cementitious material,enhancing its conductive *** volume ratios of carbon fibre,steel fibre and graphite that achieve an optimal complex doping in the cementitious material were 0.35%,0.6%and 6%,*** was determined using the mutation point of each circuit element parameter as the percolation *** addition,at a certain safety voltage,there is a uniform change between the internal and surface temperatures of the conductive cementitious material,and the heating effect in this materialis is considerably better than that in the pristine cementitious material.

关键词： cementitious composites conductive fillers electrothermal properties electrochemical impedance spectroscopy