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Security Constrained Distributed Transaction Model for Multiple Prosumers

CSEE Journal of Power and Energy Systems 2024年第2期10卷 834-843页

作者： Haiteng Han Sichen Shen Zhinong Wei Mohammed Olama Haixiang Zang Guoqiang Sun Yizhou Zhou School of Electrical and Power Engineering Hohai UniversityNanjing 211100China oak ridge national laboratory Oak RidgeTN 37831 USA

Massive access of renewable energy has prompted demand-side distributed resources to participate in regulation and improve flexibility of power systems. With large-scale access of massive, decentralized, and diverse distributed resources, demand-side market members have transformed from traditional “consumers” to “prosumers”. To explore the distributed transaction model of prosumers, in this paper, a multi-prosumer distributed transaction model is proposed, and the Conditional Value-at-Risk (CVaR) theory is applied to quantify potential risks caused by the stochastic characteristics inherited from renewable energy. First, a prosumer model under constraints of the distribution network including photovoltaic units, fuel cells, energy storage system, central air conditioning and flexible loads is established, and a multi-prosumer distributed transaction strategy is proposed to achieve power sharing among multiple prosumers. Second, a prosumer transaction model based on CVaR is constructed to measure risks inherited from the uncertainty of PV output within the prosumer and ensure safety of system operation in extreme PV output scenarios. Then, the alternating direction multiplier method (ADMM) is utilized to solve the constructed model efficiently. Finally, distributed transaction costs of prosumers are distributed fairly based on the generalized Nash equilibrium to maximize social benefits. Simulation results show the multi-prosumer distributed transaction mechanism established under the proposed generalized Nash equilibrium method can encourage power sharing among prosumers, increasing their own income and social benefits. Also, the CVaR can assist decision making of prosumers in weighting the risks and benefits, improving system resilience through energy management of prosumers.

关键词： Alternating direction multiplier method Conditional Value-at-Risk distributed transaction generalized Nash equilibrium prosumer

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Construction of conjugated scaffolds driven by mechanochemistry towards energy storage applications

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Green Chemical Engineering 2024年第2期5卷 155-172页

作者： Juntian Fan Zhenzhen Yang Sheng Dai Department of Chemistry Institute for Advanced Materials and ManufacturingUniversity of TennesseeKnoxvilleTN37996USA Chemical Sciences Division Oak Ridge National LaboratoryOak RidgeTN37831USA

Mechanochemistry has been recognized as an efficient and sustainable methodology to provide a unique driven force and reaction environments under ambient and neat conditions for the construction of functionalized materials possessing promising properties.Among them,highly porous conjugated scaffolds with attractive electronic conductivities and high surface areas are one of the representative categories exhibiting diverse taskspecific applications,especially in electrochemical energy storage.In recent years,the mechanochemistry-driven procedures have been deployed to construct conjugated scaffolds with engineered structures and properties leveraging the tunability in chemical structures of building blocks and polymerization capability of diverse catalysts.Therefore,a thorough review of related works is required to gain an in-depth understanding of the mechanochemical synthesis procedure and property-performance relationship of the as-produced conjugated scaffolds.Herein,the mechanochemistry-driven construction of conjugated porous networks(CPNs),the carbon-based materials(e.g.,graphite and graphyne),and carbon supported single atom catalysts(CS-SACs)are discussed and summarized.The electrochemical performance of the afforded conductive scaffolds as electrode materials in supercapacitors and alkali-ion batteries is elucidated.Finally,the challenges and potential opportunities related to the construction of conjugated scaffolds driven by mechanochemistry are also discussed and concluded.

关键词： Mechanochemistry Conjugated scaffolds Porous organic networks Alkali-ion battery Supercapacitor

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Stereoselective recognition of morphine enantiomers by μ-opioid receptor

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national Science Review 2024年第3期11卷 183-191页

作者： Yibo Wang Van A.Ngo Xiaohui Wang laboratory of Chemical Biology Changchun Institute of Applied ChemistryChinese Academy of Sciences Advanced Computing for Life Sciences and Engineering Group Science Engagement Section National Center for Computational Sciences Oak Ridge National Lab School of Applied Chemistry and Engineering University of Science and Technology of China Beijing national laboratory for Molecular Sciences

Stereospecific recognition of chiral molecules plays a crucial role in biological systems. The μ-opioid receptor（MOR） exhibits binding affinity towards（-）-morphine, a well-established gold standard in pain management, while it shows minimal binding affinity for the（+）-morphine enantiomer, resulting in a lack of analgesic activity. Understanding how MOR stereoselectively recognizes morphine enantiomers has remained a puzzle in neuroscience and pharmacology for over half-a-century due to the lack of direct observation techniques. To unravel this mystery, we constructed the binding and unbinding processes of morphine enantiomers with MOR via molecular dynamics simulations to investigate the thermodynamics and kinetics governing MOR's stereoselective recognition of morphine enantiomers. Our findings reveal that the binding of（-）-morphine stabilizes MOR in its activated state, exhibiting a deep energy well and a prolonged residence time. In contrast,（+）-morphine fails to sustain the activation state of MOR.Furthermore, the results suggest that specific residues, namely D1142.50and D1473.32, are deprotonated in the active state of MOR bound to（-）-morphine. This work highlights that the selectivity in molecular recognition goes beyond binding affinities, extending into the realm of residence time.

关键词： stereoselective recognition thermodynamics and kinetics residence time morphine enantiomers μ-opioid receptor

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Biochar-compost-based controlled-release nitrogen fertilizer intended for an active microbial community

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Frontiers of Agricultural Science and Engineering 2024年第2期11卷 326-343页

作者： Robiul Islam RUBEL Lin WEI Salman ALANAZI Abdulkarim ALDEKHAIL Anne C.M.CIDREIRA Xufei YANG Sanjita WASTI Samarthya BHAGIA Xianhui ZHAO Department of Agricultural and Biosystem Engineering South Dakota State University Tickle College of Engineering University of Tennessee Knoxville oak ridge national laboratory

Nitrogen(N) fertilizers in agriculture suffer losses by volatilization of N to the air, surface runoff and leaching into the soil, resulting in low N use efficiency(NUE)( 50%) and raising severe environmental pollutions. Controlledrelease nitrogen fertilizers(CRNFs) can control the release of N nutrients to NUE in crop production. Different methods were used to develop new CRNFs.However, different CRNF technologies are still underdeveloped due to inadequate controlling on N releasing time and/or unsustainable diffusion. The study on the influences of CRNF processing parameters on microbial conditions are lacking when the CRNFs composed of various bio-ingredients such as biochar, composts, and biowaste. The complexity of processing methods, material biodegradability, and other physical properties make current CRNFs of questionable value in agricultural production. This research aims to develop a novel biochar-compost-based controlled-release urea fertilizer(BCRUF) to preserve microbial properties carried by the compost. The BCRUF was synthesized by pelletizing the 50:50(dry, wt/wt) mixture of biochar and compost. BCRUF was loaded with urea and then spray-coated with polylactic acid(PLA). The releasing time of two types of BCRUFs, coated and uncoated with PLA, for 80% of N release in water was up to 6 h at three different temperatures(4, 23, and 40 °C), compared to conventional urea fertilizer and commercial environmentally smart N(ESN) fertilizer. The releasing time of coated BCRUF for 80% N release in soil was up to 192 h(8 days). Fourier-transform infrared spectroscopy(FTIR) analysis revealed that no new functional groups were found in the release solution, indicating no new chemical hazards generated. The differential scanning calorimetry(DSC)tests also verified that its thermal stability could be up to 160 °C. The microbe populations in the BCRUF pellets were reduced after the pelleting and drying processes in BCRUF fabrication, but a few bacteria can endure in the air-drying process. BCRUF pellets soaked in w

关键词： Soil microbial community biochar compost controlled-release nitrogen fertilizer polylactic acid spray coating.

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Script-Based GPU-Ready ELM Development for Continuous Code Integration

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Journal of Computer and Communications 2024年第5期12卷 102-106页

作者： Peter Schwartz Dali Wang Fengming Yuan Peter Thornton oak ridge national laboratory Environmental Sciences Division Oak Ridge USA

Designing and optimizing complex scientific code for new computing architectures is a challenging task. To address this issue in the E3SM land model (ELM) development, we developed a software tool called SPEL, which facilitates code generation, verification, and performance tuning using compiler directives within a Function Unit Test framework. In this paper, we present a SPEL extension that leverages the version control system (e.g., Git) to autonomous code generation and demonstrate its application to continuous code integration and development of the ELM software system. The study can benefit the scientific software development community.

关键词： E3SM Land Model GPU Code Porting Continuous Code Integration SPEL Scientific Software Refactorization

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i-Tree Eco Analysis of Landscape Vegetation on Remediated Areas of oak ridge national laboratory

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Open Journal of Forestry 2020年第4期10卷 412-427页

作者： Sally Ross Sharon Jean-Philippe Wayne Clatterbuck Neil Giffen Jamie Herold John Zobel School of Environment and Natural Resources The Ohio State University Columbus OH USA Department of Forestry Wildlife and Fisheries University of Tennessee Knoxville USA oak ridge national laboratory Oak Ridge TN USA University of Minnesota Saint Paul MN USA

The oak ridge national laboratory (ORNL) is the largest and most diverse energy, research, and development institution within the Department of Energy (DOE) system in the United States. As such, the site endures constant land development that creates rigorous growing conditions for urban vegetation. Natural resource managers at ORNL recognize that trees are an integral component of the landscape and are interested in characterizing the urban forest and their associated ecosystem services benefits. We evaluated the urban forest structure, quantified ecosystem services and benefits, and estimated economic value of resources using i-Tree Eco at ORNL. While this assessment captured over 1100 landscape trees, the ORNL Natural Resources Management for landscape vegetation can be expanded to include unmanaged landscapes, e.g. riparian areas, greenspace, and other vegetative attributes to increase ecosystem services benefits. Assigning a monetary value to urban forest benefits help to inform decisions about urban forest management, ideally on cost-benefit analysis.

关键词： Urban Tree(s) Urban Forest Urban Vegetation Landscape Vegetation Tree Inventory Tree Assessment Ecosystem Service(s) Ecological Function i-Tree Eco Economic Valuation

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Optimizing 3d spin polarization of CoOOH by in situ Mo doping for efficient oxygen evolution reaction

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Carbon Energy 2024年第1期6卷 236-244页

作者： Zhichao Jia Yang Yuan Yanxing Zhang Xiang Lyu Chenhong Liu Xiaoli Yang Zhengyu Bai Haijiang Wang Lin Yang Key laboratory of Green Chemical Media and Reactions School of Chemistry and Chemical EngineeringCollaborative Innovation Center of Henan Province for Green Manufacturing of Fine ChemicalsMinistry of EducationHenan Normal UniversityXinxiangHenanChina School of Physics Henan Normal UniversityXinxiangHenanChina oak ridge national laboratory Electrification and Energy Infrastructures DivisionOak RidgeTennesseeUSA Department of Mechanical and Energy Engineering Key Laboratory of Energy Conversion and Storage TechnologiesSouthern University of Science and TechnologyShenzhenGuangdongChina

Transition-metal oxyhydroxides are attractive catalysts for oxygen evolution reactions(OERs).Further studies for developing transition-metal oxyhydroxide catalysts and understanding their catalytic mechanisms will benefit their quick transition to the next catalysts.Herein,Mo-doped CoOOH was designed as a high-performance model electrocatalyst with durability for 20 h at 10 mAcm−2.Additionally,it had an overpotential of 260 mV(glassy carbon)or 215 mV(nickel foam),which was 78 mV lower than that of IrO_(2)(338 mV).In situ,Raman spectroscopy revealed the transformation process of CoOOH.Calculations using the density functional theory showed that during OER,doped Mo increased the spin-up density of states and shrank the spin-down bandgap of the 3d orbits in the reconstructed CoOOH under the electrochemical activation process,which simultaneously optimized the adsorption and electron conduction of oxygen-related intermediates on Co sites and lowered the OER overpotentials.Our research provides new insights into the methodical planning of the creation of transition-metal oxyhydroxide OER catalysts.

关键词： electrocatalyst in situ Raman Mo-doped CoOOH oxygen evolution reaction

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Pre-combustion mercury removal with co-production of hydrogen via coal electrolysis

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Journal of Environmental Sciences 2024年第2期136卷 382-389页

作者： Xiang Lyu Runming Tao Tianyu Zhang Chemical and Biomolecular Engineering Department Ohio University165 Stocker CenterAthensOH45701USA Electrification and Energy Infrastructures Division Oak Ridge National LaboratoryOak RidgeTN37831USA Beijing Key Lab for Source Control Technology of Water Pollution College of Environmental Science and EngineeringBeijing Forestry UniversityBeijing 100083China Engineering Research Center for Water Pollution Source Control&Eco-remediation College of Environmental Science and EngineeringBeijing Forestry UniversityBeijing 100083China

Pre-combustion mercury removal via coal electrolysis was performed and investigated on a bench-scale coal electrolytic cell(CEC)systemically,and factorial design was used to determine the effect of different operating conditions(coal particle size,operating temperature,operating cell voltage,and flow rate of slurry)on the percentage of mercury removal,percentage of ash removal,and dry heating value change.The results showed that the operating cell voltage,as well as the interaction between operating cell voltage and coal particle size,are significant factors in the percentage of mercury removal.There is no significant factor in the percentage of ash removal and the dry heating value change,but the coal could be purified while keeping the dry heating value almost constant after electrolysis.A co-product of hydrogen could be produced during coal electrolysis with 50%lower energy consumption compared with water electrolysis.Meanwhile,a mechanism for mercury removal in coal was proposed.The facts indicate that coal electrolysis is a promising method for precombustion mercury removal.

关键词： Pre-combustion mercury removal Coal electrolysis Ash removal Dry heating value Hydrogen production

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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

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Functional genomics of Brassica napus:Progresses,challenges,and perspectives

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Journal of Integrative Plant Biology 2024年第3期66卷 484-509页

作者： Zengdong Tan Xu Han Cheng Dai Shaoping Lu Hanzi He Xuan Yao Peng Chen Chao Yang Lun Zhao Qing-Yong Yang Jun Zou Jing Wen Dengfeng Hong Chao Liu Xianhong Ge Chuchuan Fan Bing Yi Chunyu Zhang Chaozhi Ma Kede Liu Jinxiong Shen Jinxing Tu Guangsheng Yang Tingdong Fu Liang Guo Hu Zhao national Key laboratory of Crop Genetic Improvement Hubei Hongshan LaboratoryHuazhong Agricultural UniversityWuhan 430070China Yazhouwan national laboratory Sanya 572025China

Brassica napus,commonly known as rapeseed or canola,is a major oil crop contributing over 13%to the stable supply of edible vegetable oil worldwide.Identification and understanding the gene functions in the B.napus genome is crucial for genomic breeding.A group of genes controlling agronomic traits have been successfully cloned through functional genomics studies in B.napus.In this review,we present an overview of the progress made in the functional genomics of B.napus,including the availability of germplasm resources,omics databases and cloned functional genes.Based on the current progress,we also highlight the main challenges and perspectives in this field.The advances in the functional genomics of B.napus contribute to a better understanding of the genetic basis underlying the complex agronomic traits in B.napus and will expedite the breeding of high quality,high resistance and high yield in B.napus varieties.

关键词： accelerate breeding Brassica napus functional genomics high resistance high yield

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