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工程（英文）
工程（英文）

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2095-8099

工程（英文）/Journal EngineeringCSTPCDCSCD北大核心SCI
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    A Case Study Applying Mesoscience to Deep Learning

    Li GuoFanyong MengPengfei QinZhaojie Xia...
    84-93页
    查看更多>>摘要：In this paper,we propose mesoscience-guided deep learning(MGDL),a deep learning modeling approach guided by mesoscience,to study complex systems.When establishing sample dataset based on the same system evolution data,different from the operation of conventional deep learning method,MGDL intro-duces the treatment of the dominant mechanisms of complex system and interactions between them according to the principle of compromise in competition(CIC)in mesoscience.Mesoscience constraints are then integrated into the loss function to guide the deep learning training.Two methods are proposed for the addition of mesoscience constraints.The physical interpretability of the model-training process is improved by MGDL because guidance and constraints based on physical principles are provided.MGDL was evaluated using a bubbling bed modeling case and compared with traditional techniques.With a much smaller training dataset,the results indicate that mesoscience-constraint-based model training has distinct advantages in terms of convergence stability and prediction accuracy,and it can be widely applied to various neural network configurations.The MGDL approach proposed in this paper is a novel method for utilizing the physical background information during deep learning model training.Further exploration of MGDL will be continued in the future.
      原文链接:
    • 万方数据
    • 维普

    Porous-DeepONet:Learning the Solution Operators of Parametric Reactive Transport Equations in Porous Media

    Pan HuangYifei LengCheng LianHonglai Liu...
    94-103页
    查看更多>>摘要：Reactive transport equations in porous media are critical in various scientific and engineering disciplines,but solving these equations can be computationally expensive when exploring different scenarios,such as varying porous structures and initial or boundary conditions.The deep operator network(DeepONet)has emerged as a popular deep learning framework for solving parametric partial differential equations.However,applying the DeepONet to porous media presents significant challenges due to its limited capa-bility to extract representative features from intricate structures.To address this issue,we propose the Porous-DeepONet,a simple yet highly effective extension of the DeepONet framework that leverages convolutional neural networks(CNNs)to learn the solution operators of parametric reactive transport equations in porous media.By incorporating CNNs,we can effectively capture the intricate features of porous media,enabling accurate and efficient learning of the solution operators.We demonstrate the effectiveness of the Porous-DeepONet in accurately and rapidly learning the solution operators of para-metric reactive transport equations with various boundary conditions,multiple phases,and multi-physical fields through five examples.This approach offers significant computational savings,potentially reducing the computation time by 50-1000 times compared with the finite-element method.Our work may provide a robust alternative for solving parametric reactive transport equations in porous media,paving the way for exploring complex phenomena in porous media.
      原文链接:
    • 万方数据
    • 维普

    An Interpretable Light Attention-Convolution-Gate Recurrent Unit Architecture for the Highly Accurate Modeling of Actual Chemical Dynamic Processes

    Yue LiNing LiJingzheng RenWeifeng Shen...
    104-116页
    查看更多>>摘要：To equip data-driven dynamic chemical process models with strong interpretability,we develop a light attention-convolution-gate recurrent unit(LACG)architecture with three sub-modules-a basic module,a brand-new light attention module,and a residue module-that are specially designed to learn the gen-eral dynamic behavior,transient disturbances,and other input factors of chemical processes,respec-tively.Combined with a hyperparameter optimization framework,Optuna,the effectiveness of the proposed LACG is tested by distributed control system data-driven modeling experiments on the dis-charge flowrate of an actual deethanization process.The LACG model provides significant advantages in prediction accuracy and model generalization compared with other models,including the feedforward neural network,convolution neural network,long short-term memory(LSTM),and attention-LSTM.Moreover,compared with the simulation results of a deethanization model built using Aspen Plus Dynamics V12.1,the LACG parameters are demonstrated to be interpretable,and more details on the variable interactions can be observed from the model parameters in comparison with the traditional interpretable model attention-LSTM.This contribution enriches interpretable machine learning knowl-edge and provides a reliable method with high accuracy for actual chemical process modeling,paving a route to intelligent manufacturing.
      原文链接:
    • 万方数据
    • 维普

    Stabilizing High-Nickel Cathodes via Interfacial Hydrogen Bonding Effects Using a Hydrofluoric Acid-Scavenging Separator

    Shijie ZhongLiwei DongBotao YuanYueyao Dong...
    117-126页
    查看更多>>摘要：Nickel-rich layered Li transition metal oxides are the most promising cathode materials for high-energy-density Li-ion batteries.However,they exhibit rapid capacity degradation induced by transition metal dissolution and structural reconstruction,which are associated with hydrofluoric acid(HF)generation from lithium hexafluorophosphate decomposition.The potential for thermal runaway during the working process poses another challenge.Separators are promising components to alleviate the aforementioned obstacles.Herein,an ultrathin double-layered separator with a 10 μm polyimide(PI)basement and a 2 μm polyvinylidene difluoride(PVDF)coating layer is designed and fabricated by combining a non-solvent induced phase inversion process and coating method.The PI skeleton provides good stability against potential thermal shrinkage,and the strong PI-PVDF bonding endows the composite separator with robust structural integrity;these characteristics jointly contribute to the extraordinary mechanical tolerance of the separator at elevated temperatures.Additionally,unique HF-scavenging effects are achieved with the formation of-CO… H-F hydrogen bonds for the abundant HF coordination sites pro-vided by the imide ring;hence,the layered Ni-rich cathodes are protected from HF attack,which ulti-mately reduces transition metal dissolution and facilitates long-term cyclability of the Ni-rich cathodes.Li||NCM811 batteries(where"NCM"indicates LiNixCoyMn1-x-yO2)with the proposed compos-ite separator exhibit a 90.6％capacity retention after 400 cycles at room temperature and remain sustain-able at 60 ℃ with a 91.4％capacity retention after 200 cycles.By adopting a new perspective on separators,this study presents a feasible and promising strategy for suppressing capacity degradation and enabling the safe operation of Ni-rich cathode materials.
      原文链接:
    • 万方数据
    • 维普

    Multi-Pollutant Formation and Control in Pressurized Oxy-Combustion:SOx,NOx,Particulate Matter,and Mercury

    Gaofeng DaiJiaye ZhangZia ur RahmanYufeng Zhang...
    127-153页
    查看更多>>摘要：Oxy-combustion is a promising carbon-capture technology,but atmospheric-pressure oxy-combustion has a relatively low net efficiency,limiting its application in power plants.In pressurized oxy-combustion(POC),the boiler,air separation unit,flue gas recirculation unit,and CO2 purification and compression unit are all operated at elevated pressure;this makes the process more efficient,with many advantages over atmospheric pressure,such as low NOx emissions,a smaller boiler size,and more.POC is also more promising for industrial application and has attracted widespread research interest in recent years.It can produce high-pressure CO2 with a purity of approximately 95％,which can be used directly for enhanced oil recovery or geo-sequestration.However,the pollutant emissions must meet the stan-dards for carbon capture,storage,and utilization.Because of the high oxygen and moisture concentra-tions in POC,the formation of acids via the oxidation and solution of SOx and NOx can be increased,causing the corrosion of pipelines and equipment.Furthermore,particulate matter(PM)and mercury emissions can harm the environment and human health.The main distinction between pressurized and atmospheric-pressure oxy-combustion is the former's elevated pressure;thus,the effect of this pres-sure on the pollutants emitted from POC-including SOx,NOx,PM,and mercury-must be understood,and effective control methodologies must be incorporated to control the formation of these pollutants.This paper reviews recent advances in research on SOx,NOx,PM,and mercury formation and control in POC systems that can aid in pollutant control in such systems.
      原文链接:
    • 万方数据

    Feasibility of Scaling up the Cost-Competitive and Clean Electrolytic Hydrogen Supply in China

    Guangsheng PanWei GuZhongfan GuJin Lin...
    154-165页
    查看更多>>摘要：Scaling up clean hydrogen supply in the near future is critical to achieving China's hydrogen development target.This study established an electrolytic hydrogen development mechanism considering the gener-ation mix and operation optimization of power systems with access to hydrogen.Based on the incremen-tal cost principle,we quantified the provincial and national clean hydrogen production cost performance levels in 2030.The results indicated that this mechanism could effectively reduce the production cost of clean hydrogen in most provinces,with a national average value of less than 2 USD.kg-1 at the 40-megaton hydrogen supply scale.Provincial cooperation via power transmission lines could further reduce the production cost to 1.72 USD.kg-1.However,performance is affected by the potential distribution of hydrogen demand.From the supply side,competitiveness of the mechanism is limited to clean hydrogen production,while from the demand side,it could help electrolytic hydrogen fulfil a more significant role.This study could provide a solution for the ambitious development of renewables and the hydrogen econ-omy in China.
      原文链接:
    • 万方数据
    • 维普

    Altered Iron-Mediated Metabolic Homeostasis Governs the Efficacy and Toxicity of Tripterygium Glycosides Tablets Against Rheumatoid Arthritis

    Zihe DingXiaoyue WangYi ZhangJian Liu...
    166-179页
    查看更多>>摘要：Rheumatoid arthritis(RA),a globally increasing autoimmune disorder,is associated with increased disability rates due to the disruption of iron metabolism.Tripterygium glycoside tablets(TGTs),a Tripterygium wilfordii Hook.f.(TwHF)-based therapy,exhibit satisfactory clinical efficacy for RA treatment.However,drug-induced liver injury(DILI)remains a critical issue that hinders the clinical application of TGTs,and the molecular mechanisms underlying the efficacy and toxicity of TGTs in RA have not been fully elucidated.To address this problem,we integrated clinical multi-omics data associated with the anti-RA efficacy and DILI of TGTs with the chemical and target profiling of TGTs to perform a systematic network analysis.Subsequently,we identified effective and toxic targets following experimental validation in a collagen-induced arthritis(CIA)mouse model.Significantly different transcriptome-protein-metabolite profiles distinguishing patients with favorable TGTs responses from those with poor outcomes were iden-tified.Intriguingly,the clinical efficacy and DILI of TGTs against RA were associated with metabolic home-ostasis between iron and bone and between iron and lipids,respectively.Particularly,the signal transducer and activator of transcription 3(STAT3)-hepcidin(HAMP)/lipocalin 2(LCN2)-tartrate-resis tant acid phosphatase type 5(ACP5)and STAT3-HAMP-acyl-CoA synthetase long-chain family member 4(ACSL4)-lysophosphatidylcholine acyltransferase 3(LPCAT3)axes were identified as key drivers of the efficacy and toxicity of TGTs.TGTs play dual roles in ameliorating CIA-induced pathology and in induc-ing hepatic dysfunction,disruption of lipid metabolism,and hepatic lipid peroxidation.Notably,TGTs effectively reversed"iron-bone"disruptions in the inflamed joint tissues of CIA mice by inhibiting the STAT3-HAMP/LCN2-ACP5 axis,subsequently leading to"iron-lipid"disturbances in the liver tissues via modulation of the STAT3-HAMP-ACSL4-LPCAT3 axis.Additional bidirectional validation experiments were conducted using MH7A and AML12 cells to confirm the bidirectional regulatory effects of TGTs on key targets.Collectively,our data highlight the association between iron-mediated metabolic homeostasis and the clinical efficacy and toxicity of TGT in RA therapy,offering guidance for the rational clinical use of TwHF-based therapy with dual therapeutic and toxic potential.
      原文链接:
    • 万方数据
    • 维普

    Repurposing Loperamide as an Anti-Infection Drug for the Treatment of Intracellular Bacterial Pathogens

    Hongtao LiuSiqi LiLe DengZhenxu Shi...
    180-193页
    查看更多>>摘要：Infections caused by intracellular bacterial pathogens are difficult to treat since most antibiotics have low cell permeability and undergo rapid degradation within cells.The rapid development and dissemination of antimicrobial-resistant strains have exacerbated this dilemma.With the increasing knowledge of host-pathogen interactions,especially bacterial strategies for survival and proliferation within host cells,host-directed therapy(HDT)has attracted increased interest and has emerged as a promising anti-infection method for treating intracellular infection.Herein,we applied a cell-based screening approach to a US Food and Drug Administration(FDA)-approved drug library to identify compounds that can inhi-bit the intracellular replication of Salmonella Typhimurium(S.Typhimurium).This screening allowed us to identify the antidiarrheal agent loperamide(LPD)as a potent inhibitor of S.Typhimurium intracellular proliferation.LPD treatment of infected cells markedly promoted the host autophagic response and lyso-somal activity.A mechanistic study revealed that the increase in host autophagy and elimination of intra-cellular bacteria were dependent on the high expression of glycoprotein nonmetastatic melanoma protein B(GPNMB)induced by LPD.In addition,LPD treatment effectively protected against S.Typhimurium infection in Galleria mellonella and mouse models.Thus,our study suggested that LPD may be useful for the treatment of diseases caused by intracellular bacterial pathogens.Moreover,LPD may serve as a promising lead compound for the development of anti-infection drugs based on the HDT strategy.
      原文链接:
    • 万方数据
    • 维普

    A New Dynamic and Vertical Photovoltaic Integrated Building Envelope for High-Rise Glaze-Facade Buildings

    Wuwei ZouYan WangEnze TianJiaze Wei...
    194-203页
    查看更多>>摘要：Substantially glazed facades are extensively used in contemporary high-rise buildings to achieve attrac-tive architectural aesthetics.Inherent conflicts exist among architectural aesthetics,building energy con-sumption,and solar energy harvesting for glazed facades.In this study,we addressed these conflicts by introducing a new dynamic and vertical photovoltaic integrated building envelope(dvPVBE)that offers extraordinary flexibility with weather-responsive slat angles and blind positions,superior architectural aesthetics,and notable energy-saving potential.Three hierarchical control strategies were proposed for different scenarios of the dvPVBE:power generation priority(PGP),natural daylight priority(NDP),and energy-saving priority(ESP).Moreover,the PGP and ESP strategies were further analyzed in the simu-lation of a dvPVBE.An office room integrated with a dvPVBE was modeled using EnergyPlus.The influ-ence of the dvPVBE in improving the building energy efficiency and corresponding optimal slat angles was investigated under the PGP and ESP control strategies.The results indicate that the application of dvPVBEs in Beijing can provide up to 131％of the annual energy demand of office rooms and significantly increase the annual net energy output by at least 226％compared with static photovoltaic(PV)blinds.The concept of this novel dvPVBE offers a viable approach by which the thermal load,daylight penetration,and energy generation can be effectively regulated.
      原文链接:
    • 万方数据
    • 维普

    Lunar In Situ Large-Scale Construction:Quantitative Evaluation of Regolith Solidification Techniques

    Charun BaoDaobo ZhangQinyu WangYifei Cui...
    204-221页
    查看更多>>摘要：Lunar habitat construction is crucial for successful lunar exploration missions.Due to the limitations of transportation conditions,extensive global research has been conducted on lunar in situ material process-ing techniques in recent years.The aim of this paper is to provide a comprehensive review,precise clas-sification,and quantitative evaluation of these approaches,focusing specifically on four main approaches:reaction solidification(RS),sintering/melting(SM),bonding solidification(BS),and confine-ment formation(CF).Eight key indicators have been identified for the construction of low-cost and high-performance systems to assess the feasibility of these methods:in situ material ratio,curing temperature,curing time,implementation conditions,compressive strength,tensile strength,curing dimensions,and environmental adaptability.The scoring thresholds are determined by comparing the construction requirements with the actual capabilities.Among the evaluated methods,regolith bagging has emerged as a promising option due to its high in situ material ratio,low time requirement,lack of high-temperature requirements,and minimal shortcomings,with only the compressive strength falling below the neutral score.The compressive strength still maintains a value of 2-3 MPa.The proposed construction scheme utilizing regolith bags offers numerous advantages,including rapid and large-scale construction,ensured tensile strength,and reduced reliance on equipment and energy.In this study,guidelines for evaluating regolith solidification techniques are provided,and directions for improvement are offered.The proposed lunar habitat design based on regolith bags is a practical reference for future research.
      原文链接:
    • 万方数据
    • 维普