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Mechanistic modeling of copper corrosions in data center environments

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Building Simulation 2024年第3期17卷 483-492页

作者： rui zhang Jianshun zhang Roger Schmidt Jeremy L.Gilbert Department of Mechanical and Aerospace Engineering College of Engineering and Computer ScienceSyracuse UniversitySyracuseNY13244USA Buildings and Transportation Science Division Oak Ridge National LaboratoryOak RidgeTN37830USA SyracuseCoE-New York Center of Excellence in Environmental and Energy Systems Syracuse University727 E.Washington StreetSyracuseNY13244USA Department of Bioengineering Clemson UniversityClemson-Medical University of South Carolina Bioengineering ProgramCharlestonSC29425USA

Air-side economizers are increasingly used to take advantage of“free-cooling”in data centers with the intent of reducing the carbon footprint of buildings.However,they can introduce outdoor pollutants to indoor environment of data centers and cause corrosion damage to the information technology equipment.To evaluate the reliability of information technology equipment under various thermal and air-pollution conditions,a mechanistic model based on multi-ion transport and chemical reactions was developed.The model was used to predict Cu corrosion caused by Cl_(2)-containing pollutant mixtures.It also accounted for the effects of temperature(25℃and 28℃),relative humidity(50%,75%,and 95%),and synergism.It also identified higher air temperature as a corrosion barrier and higher relative humidity as a corrosion accelerator,which agreed well with the experimental results.The average root mean square error of the prediction was 13.7Å.The model can be used to evaluate the thermal guideline for data centers design and operation when Cl_(2)is present based on pre-established acceptable risk of corrosion in data centers’environment.

关键词： chloride pollutant mixture copper corrosion model data center temperature relative humidity synergistic effect

Perturbation of autophagy pathways in murine alveolar macrophage by 2D TMDCs is chalcogen-dependent

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Journal of Environmental Sciences 2024年第1期135卷 97-107页

作者： Xiaofei Zhou Weitao Jin rui zhang Xuan Mao Jianbo Jia Hongyu Zhou College of Science&Technology Hebei Agricultural UniversityHuanghua 061100China Institute of Environmental Research at Greater Bay Area Key Laboratory for Water Quality and Conservation of the Pearl River DeltaMinistry of EducationGuangzhou UniversityGuangzhou 510006China

Increasing risks of incidental and occupational exposures to two-dimensional transition metal dichalcogenides(2D TMDCs)due to their broad application in various areas raised their public health concerns.While the composition-dependent cytotoxicity of 2D TMDCs has been well-recognized,how the outer chalcogenide atoms and inner transition metal atoms differentially contribute to their perturbation on cell homeostasis at non-lethal doses remains to be identified.In the present work,we compared the autophagy induction and related mechanisms in response to WS_(2),NbS_(2),WSe_(2)and Nb Se_(2)nanosheets exposures in MH-S murine alveolar macrophages.All these 2D TMDCs had comparable physicochemical properties,overall cytotoxicity and capability in triggering autophagy in MH-S cells,but showed outer chalcogen-dependent subcellular localization and activation of autophagy pathways.Specifically,WS_(2)and NbS_(2)nanosheets adhered on the cell surface and internalized in the lysosomes,and triggered m TOR-dependent activation of autophagy.Meanwhile,WSe_(2)and Nb Se_(2)nanosheets had extensive distribution in cytoplasm of MH-S cells and induced autophagy in an m TOR-independent manner.Furthermore,the 2D TMDCs-induced perturbation on autophagy aggravated the cytotoxicity of respirable benzo[a]pyrene.These findings provide a deeper insight into the potential health risk of environmental 2D TMDCs from the perspective of homeostasis perturbation.

关键词： Chalcogen group Autophagy pathway Cell function Endosomal escape Inhalation toxicity

Physiochemical and biological characteristics of fouling on landfill leachate treatment systems surface

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Journal of Environmental Sciences 2024年第1期135卷 59-71页

作者： Zhourui Gong Shu Yang rui zhang Yangqing Wang Xiaoqing Wu Liyan Song School of resources and environmental engineering Anhui UniversityHefei 230601China Anhui Shengjin Lake Wetland Ecology National Long-term Scientific Research Base Dongzhi 247230China Key Laboratory of Three Gorges Reservoir Region’s Eco-Environment Ministry of EducationChongqing UniversityChongqing 400045China Chongqing Institute of Green and Intelligent Technology Chinese Academy of SciencesChongqing 400714China Xing Lu Huan Jing Co.LTD. Luzhou 646000China

Fouling of landfill leachate,a biofilm formation process on the surface of the collection system,migration pipeline and treatment system causes low efficiency of leachate transportation and treatment and increases cost for maintenance of those facilities.In addition,landfill leachate fouling might accumulate pathogens and antibiotic resistance genes(ARGs),posing threats to the environment.Characterization of the landfill leachate fouling and its associated environmental behavior is essential for the management of fouling.In this study,physicochemical and biological properties of landfill leachate fouling and the possible accumulation capacity of pathogens and ARGs were investigated in nitrification(aerobic condition)and denitrification(anaerobic condition)process during landfill leachate biological treatment,respectively.Results show that microbial(bacterial,archaeal,eukaryotic,and viral)community structure and function(carbon fixation,methanogenesis,nitrification and denitrification)differed in fouling under aerobic and anaerobic conditions,driven by the supplemental leachate water quality.Aerobic fouling had a higher abundance of nitrification and denitrification functional genes,while anaerobic fouling harbored a higher abundance of carbon fixation and methanogenesis genes.Both forms of leachate fouling had a higher abundance of pathogens and ARGs than the associated leachate,suggesting the accumulation capacity of fouling on biotic pollutants.Specifically,aerobic fouling harbored three orders of magnitude higher multidrug resistance genes mex D than its associated leachate.This finding provides fundamental knowledge on the biological properties of leachate fouling and suggests that leachate fouling might harbor significant pathogens and ARGs.

关键词： Landfill leachate fouling Biofilm Microbiome Carbon and nitrogen cycle Pathogens Antibiotic resistance genes

Numerical Analysis of Perforation during Hydraulic Fracture Initiation Based on Continuous-Discontinuous Element Method

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Computer Modeling in Engineering & Sciences 2024年第8期140卷 2103-2129页

作者： rui zhang Lixiang Wang Jing Li Chun Feng Yiming zhang School of Civil and Transportation Engineering Hebei University of TechnologyTianjin300401China Key Laboratory for Mechanics in Fluid Solid Coupling Systems Institute of MechanicsChinese Academy of SciencesBeijing100190China School of Civil Engineering and Architecture Zhejiang Sci-Tech UniversityHangzhou310018China Jinyun Institute Zhejiang Sci-Tech UniversityLishui321400China

Perforation is a pivotal technique employed to establish main flow channels within the reservoir formation at the outset of hydraulic fracturing operations.Optimizing perforation designs is critical for augmenting the efficacy of hydraulic fracturing and boosting oil or gas production.In this study,we employ a hybrid finite-discrete element method,known as the continuous–discontinuous element method(CDEM),to simulate the initiation of post-perforation hydraulic fractures and to derive enhanced design parameters.The model incorporates the four most prevalent perforation geometries,as delineated in an engineering technical report.Real-world perforations deviate from the ideal cylindrical shape,exhibiting variable cross-sectional profiles that typically manifest as an initial constriction followed by an expansion,a feature consistent across all four perforation types.Our simulations take into account variations in perforation hole geometries,cross-sectional diameters,and perforation lengths.The findings show that perforations generated by the 39g DP3 HMX perforating bullet yield the lowest breakdown pressure,which inversely correlates with increases in sectional diameter and perforation length.Moreover,this study reveals the relationship between breakdown pressure and fracture degree,providing valuable insights for engineers and designers to refine perforation strategies.

关键词： Hydraulic fracturing real perforation shape breakdown pressure perforation layout design CDEM

Optimizing extractants selection for efficient separation of phenols and nitrogen-containing heteroaromatics using hydrogen bond interaction strategies

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Chinese Journal of Chemical Engineering 2024年第4期68卷 43-52页

作者： Pengzhi Bei rui zhang Jie Feng Antony Rajendran Wenying Li State Key Laboratory of Clean and Efficient Coal Utilization Taiyuan University of TechnologyTaiyuan 030024China Department of Chemistry Mepco Schlenk Engineering College(Autonomous)Sivakasi 626005India

Focusing on the use of imidazolium ionic liquids and quaternary ammonium salts-based deep eutectic solvents for the separation of phenols and nitrogen-containing heteroaromatics,the role of heteroaromatics as specific sites for hydrogen bond-based separation has been investigated.These environmentally friendly solvents are known for their ability to form hydrogen bonds with heteroatoms,a key aspect in separation processes.We quantified the hydrogen bond interaction energy to reach the threshold energy for efficient O-and N-heteroaromatics separation.This article provides an in-depth study of the structural nuances of different hydrogen bonding sites and their affinity properties while conducting a comparative evaluation of the separation efficiency of ionic liquids and deep eutectic solvents from a thermodynamic perspective.Results showed that phenols with dual hydrogen bonding recognition sites were easier to separate than nitrogen-containing heteroaromatics.Imidazolium ionic liquids were more suitable for the extraction of nonbasic nitrogen-containing heteroaromatics,and quaternary ammonium salts-based deep eutectic solvents are more effective for phenols and basic nitrogen-containing heteroaromatics,which was confirmed by Fourier transform infrared spectroscopy and empirical tests.Therefore,this study provides a theoretical basis for the strategy design and selection of extractants for the efficient separation of O-and N-containing aromatic compounds.

关键词： Deep eutectic solvents Hydrogen bond Ionic liquids Separation Solvents Structural characteristics

Comprehensive optimization of piezoelectric coefficient and depolarization temperature in Mn-doped Bi_(0.5)Na_(0.5)TiO_(3)-Bi_(0.5)K_(0.5)TiO_(3)-BaTiO_(3)lead-free piezoceramics

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Journal of Materials Science & Technology 2024年第5期172卷 255-263页

作者： Huashan Zheng Enwei Sun Huajie Luo Xiaoyu zhang Yixiao Yang Bin Yang rui zhang Shantao zhang Wenwu Cao Condensed Matter Science and Technology Institute School of Instrumentation Science and EngineeringHarbin Institute of TechnologyHarbin150080China Advanced Innovation Center for Materials Genome Engineering University of Science and Technology BeijingBeijing100083China National Laboratory of Solid State Microstructures Department of Materials Science and EngineeringCollege of Engineering and Applied Science&Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing210093China Department of Mathematics and Materials Research Institute The Pennsylvania State UniversityUniversity ParkPennsylvania16802United States of America

Lead-free Bi_(_(0.5))Na_(_(0.5))TiO_(3)(BNT)piezoelectric ceramics have the advantages of large coercive fields and high Curie temperatures.But the improvement of piezoelectric coefficient(d 33)is usually accompanied by a huge sacrifice of depolarization temperature(T d).In this work,a well-balanced performance of d 33 and T d is achieved in MnO_(2)-doped 0.79(Bi_(_(0.5))Na_(_(0.5))TiO_(3))-0.14(Bi_(0.5)K_(0.5)TiO_(3))-0.07BaTiO_(3)ternary ceramics.The in-corporation of 0.25 mol%MnO_(2)enhances the d 33 by more than 40%,while T d remains almost unchanged(i.e.,d 33=181 pC/N,T d=184℃).X-ray diffraction(XRD)shows that an appropriate fraction of the small axis-ratio ferroelectric phase(pseudo-cubic,P c)coexists with the long-range ferroelectric phase(tetrag-onal,T)under this MnO_(2)doping.Piezoelectric force microscopy(PFM)has revealed a special domain configuration,namely large striped and layered macro domains embedded with small nanodomains.This study provides a distinctive avenue to design BNT-based piezoelectric ceramics with high piezoelectric performance and temperature stability.

关键词： BNT-BKT-BT ceramics Mn doping Piezoelectric Depolarization temperature Phase structure

S1-supported Pd@CeO_(2) quasi-core@shell materials as advanced catalysts for selective hydrogenation of furfural

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Chinese Chemical Letters 2024年第3期35卷 493-496页

作者： Xiang Chu Lingling zhang Ke Wang rui zhang Xiao Wang Shuyan Song Hongjie zhang State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei 230026China

Bare Pd metal nanoparticles invariably suffer from poor selectivity in furfural hydrogenation by forming flat configurations,with the aromatic ring of the substrate molecules parallel to the metal surface.Herein,we put forward a promising solution by using CeO_(2)as promoters to modify Pd nanoparticles for modulating the adsorption behaviors of furfural molecules.To achieve the highly-desired ultra-small Pd@CeO_(2)core@shell nanostructure,a“constrained auto-redox”synthesis is developed,in which silicalite-1 supports play the key role of providing their surface as the landing place of PdO_(x)precursors for inhibiting the overgrowth and the deformation.To the best of our knowledge,this is one of the smallest core@shell materials obtained from aqueous synthesis.When evaluated as catalysts,Pd@CeO_(2)/S-1 gives 98.9%conversion of furfural with 94.3%selectivity for furfural alcohol in 15 h,which is much better than that of Pd/S-1(88.6%conversion with 44.3%selectively).The DFT simulation reveals a strong interaction between the defects of CeO_(2)and the oxygen atom of the–CHO group in furfural molecules,which benefits the selective hydrogenation occurred in the–CHO group rather than the furan ring.

关键词： Core@shell Palladium Ceria Auto-redox synthesis Hydrogenation

Impacts of permafrost degradation on streamflow in the northern Himalayas

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Science China Earth Sciences 2024年第6期67卷 1990-2000页

作者： Linfeng FAN Fang JI Xingxing KUANG Zhilin GUO rui zhang Chunmiao ZHENG State Key Laboratory of Mountain Hazards and Engineering Resilience Institute of Mountain Hazards and EnvironmentChinese Academy of SciencesChengdu 610299China Yangtze Institute for Conservation and Development Hohai UniversityNanjing 210024China School of Environmental Science and Engineering Southern University of Science and TechnologyShenzhen 518055China Eastern Institute for Advanced Study Ningbo 315200China

The Himalayan water tower provides crucial water resources for Asia.Permafrost degradation is deemed to exert important impacts on streamflow in the Himalayan rivers.Yet,the magnitudes of such impacts remain poorly quantified.Here,we established a robust hydrological model that incorporated active layer deepening and ground ice melt for the drainage basin of the largest river in the northern Himalayas-the Yarlung Zangbo River(YZR).We estimated that permafrost degradation led to~0.65 km^(3)/yr decrease in surface runoff and~0.35 km^(3)/yr increase in baseflow and ground ice melt contributed~0.25% to the annual streamflow in the YZR for the period 2001-2022.The“fill-and-spill”mechanism helps explain the seeming contradiction of observed increasing versus decreasing baseflow in different permafrost regions worldwide.We propose that the dilution of riverine dissolved organic carbon(DOC)concentrations by baseflow may lead to the riverine DOC hysteresis patterns.This study not only lays solid scientific basis for water resources management in the Himalayas,but also yields new insights into how to interpret measured river discharge and nutrient flux in permafrost regions over the globe.

关键词： Permafrost degradation Hydrology Streamflow Surface runoff Groundwater Himalayas

Structural evolution and high-temperature sensing performance of polymer-derived SiAlBCN ceramics

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Journal of Advanced Ceramics 2024年第4期13卷 478-485页

作者： Chao Ma Kun Liu Pengfei Shao Daoyang Han Kang Wang Mengmeng Yang rui Zhao Hailong Wang rui zhang Gang Shao School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450001China Zhongyuan Critical Metal Laboratory Zhengzhou UniversityZhengzhou 450001China State Key Laboratory of Structural Analysis Optimization and CAE Software for Industrial EquipmentZhengzhou UniversityZhengzhou 450002China

In situ temperature monitoring has become extremely imperative in high-temperature harsh environments and polymer-derived ceramics(PDCs)as sensing materials have attracted great attention.However,the stability and oxidation/corrosion resistance of PDCs cannot be simultaneously achieved at the moment,limiting their practical application.Herein,polymer-derived SiAlBCN ceramics were synthesized via polymer conversion method under different pyrolysis temperatures.Their microstructure evolution,high temperature sensing properties,and stability were investigated in detail.The results show that the amorphous SiAlBCN phase grows more orderly and the size of the free carbon phase enlarges with the increasing temperature.The defect concentration displays a decreasing tendency.Concurrently,the SiAlBCN ceramics as sensing materials exhibit a good temperature-resistance property from roo temperature to 1100℃.The fabricated SiAlBCN temperature sensor possesses excellent stability,repeatability,and accuracy.Moreover,SiAlBCN ceramics exhibit distinguished oxidation/corrosion resistance after 100 h treatment at 1200℃in a water/oxygen environment,which is attributed to their low corrosive rate constant(0.57 mg/(cm^(2)·h))and oxidative rate constant(3.43 mg^(2)/(cm^(4)·h)).Therefore,polymer-derived SiAlBCN ceramics as sensing materials,which possess outstanding stability and oxidation/corrosion resistance,have great potential for in-situ monitoring of extreme environmental temperatures in the future.

关键词： polymer-derived SiAlBCN ceramics temperature sensor harsh environments oxidation and corrosion resistance