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Increasing phosphorus fertilizer value of recycled iron phosphates by prolonged flooding and organic matter addition

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Pedosphere 2024年第3期34卷 631-640页

作者： Rochelle Joie SARACANLAO Hannah van RYCKEL Mieke VERBEECK Maarten EVERAERT erik SMOLDERS Division of Soil and Water Management Department of Earth and Environmental ScienceKU LeuvenKasteelpark Arenberg 20Heverlee B-3001(Belgium) Soil Service of Belgium.Willem De Croylaan 48 Leuven 3001(Belgium)

Iron(Fe)minerals are commonly used to remove phosphorus(P)from waste streams,producing P-loaded Fe(Ⅲ)oxides or Fe(Ⅱ)phosphate minerals(e.g.,vivianite).These minerals may be used as fertilizers to enhance P circularity if solubilized in ***,we tested the P fertilizer value of recycled Fe phosphates(FePs)in a pot trial and in an incubation experiment,hypothesizing that P release from FePs is possible under Fe(Ⅲ)-reducing ***,a pot trial was set up with rice(Oryza sativa)in all combinations of soil flooding or not,three P-deficient soils(acid,neutral,and calcareous),and six FePs(three Fe(Ⅲ)Ps and three Fe(Ⅱ)Ps)referenced to triple superphosphate(TSP)or zero *** P uptake responded to TSP application in all treatments but only marginally to *** redox potential did not decrease to-200 mV by flooding for a brief period(13 d)during the pot trial.A longer incubation experiment(60 d)was performed,including a treatment of glutamate addition to stimulate reductive conditions,and P availability was assessed with CaCl_(2)extraction of *** addition and/or longer incubation lowered soil redox potential to<-100 *** the longer term,Fe(Ⅲ)minerals released P,and adequate P was reached in the calcareous soil and in the neutral soil amended with Fe(Ⅲ)*** can be concluded that prolonged soil flooding and organic matter addition can enhance the P fertilizer efficiency of ***,application of FeP in powder form may enhance P availability.

关键词： agronomic efficiency circular economy P-loaded Fe(Ⅲ)oxides paddy soil vivianite redox

Automated bolting and meshing on a continuous miner for roadway development

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International Journal of Mining Science and Technology 2013年第1期23卷 55-61页

作者： van duin Stephen Meers Luke Donnelly Peter Oxley Ian University of Wollongong Northfields Avenue Gwynneville NSW Australia

Automated installation of primary roof support material can potentially increase productivity and operator safety in the roadway development process within underground coal mining. Although the broader manufacturing sector has benefited from automation, several challenges exist within the Australian underground coal industry which makes it difficult to fully exploit these technologies. At the University of Wollongong a series of reprogrammable electromechanical manipulators have been designed to overcome these challenges and automatically handle the installation of roof and rib containment consumables on a continuous miner. The automated manipulation removes personnel from hazards in the immediate face area, particularly those associated with working in a confined and unstable working environment in close proximity to rotating and moving equipment. In a series of above ground trials the automated system was successfully demonstrated without human intervention and proven to be capable of achieving cycle times at a rate of 10 m per operating hour, consistent with that required to support high capacity longwall mines. The trials also identified a number of refinements which could further improve both cycle times and system reliability when considering the technology for underground use. The results have concluded that conventional manual handling practices on a continuous miner can be eliminated, and that the prototypes have significantly reduced the technical risk in proceeding to a full underground trial.

关键词： Automation Robotics Roadway development Manipulation Roof support

Enhanced interface strength in steel-nickel bimetallic component fabricated using wire arc additive manufacturing with interweaving deposition strategy

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Journal of Materials Science & Technology 2020年第17期52卷 226-234页

作者： Bintao Wu Zhijun Qiu Zengxi Pan Kristin Carpenter Tong Wang Donghong Ding Stephen van duin Huijun Li Key Laboratory of Ningxia for Photovoltaic Material Ningxia UniversityYinchuan750021China School of Mechanical MaterialsMechatronic and Biomedical EngineeringUniversity of WollongongWollongongNSW2522Australia School of Mechatronic Engineering Foshan UniversityFoshan528000China

Realizing improved strength in composite metallic materials remains a challenge using conventional welding and joining systems due to the generation and development of brittle intermetallic compounds caused by complex thermal profiles during ***,wire arc additive manufacturing(WAAM)process was used to fabricate a steel-nickel structural component,whose average tensile strength of 634 MPa significantly exceeded that of feedstock materials(steel,537 MPa and nickel,455 MPa),which has not been reported *** as-fabricated sample exhibited hierarchically structural heterogeneity due to the interweaving deposition *** improved mechanical response during tensile testing was due to the inter-locking microstructure forming a strong bond at the interface and solid solutions strengthening from the intermixing of the Fe and Ni increased the interface strength,beyond the sum of *** research offers a new route for producing high-quality steel-nickel dissimilar structures and widens the design opportunities of monolithic components,with site-specific properties,for specific structural or functional applications.

关键词： Wire arc additive manufacturing(WAAM) Steel-nickel bimetallic-component Interweaving deposition Material properties

Building Expertise on FAIR Through Evolving Bring Your Own Data(BYOD) Workshops: Describing the Data, Software, and Management-focused Approaches and Their Evolution

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Data Intelligence 2024年第2期6卷 429-456页

作者： César H.Bernabé Lieze Thielemans Rajaram Kaliyaperumal Claudio Carta Shuxin Zhang Celia W.G.van Gelder Nirupama Benis Luiz Olavo Bonino da Silva Santos Ronald Cornet Bruna dos Santos Vieira Nawel Lalout Ines Henriques Alberto Camara Ballesteros Kees Burger Martijn G.Kersloot Friederike Ehrhart Esther van Enckevort Chris T.Evelo Alasdair J.G.Gray Marc Hanauer Kristina Hettne Joep de Ligt Arnaldo Pereira Nuria Queralt-Rosinach erik Schultes Domenica Taruscio Andra Waagmeester Mark D.Wilkinson Egon L.Willighagen Mascha Jansen Barend Mons Marco Roos Annika Jacobsen Biosemantics Group Department of Human GeneticsLeiden University Medical CentreLeidenThe Netherlands NIHR Academic Fellow in General Practice University College London and The Royal Free NHS Foundation Trust National Centre for Rare Diseases Istituto Superiore di SanitaRomeItaly Department of Medical Informatics Amsterdam UMC location University of AmsterdamMeibergdreef 9AmsterdamThe Netherlands Amsterdam Public Health Methodology&Digital HealthAmsterdamThe Netherlands Health-Rl UtrechtThe Netherlands Semantics Services and Cybersecurity groupUniversity of TwenteEnschedeThe Netherlands Department of Medical Imaging Radboud Institute for Health SciencesRadboud University Medical CenterNijmegenThe Netherlands Department of Medical BioSciences Radboud University Medical CenterNijmegenThe Netherlands The Duchenne Parent Project VeneendaalThe Netherlands Departamento de Biotecnologia-Biologia Vegetal Escuela Tecnica Superior de Ingenieria AgronomicaAlimentaria y de BiosistemasCentro de Biotecnologia y Genomica de PlantasUniversidad Politecnica de Madrid(UPM)-Instituto Nacional de Investigacion y Tecnologia Agraria y Alimentaria-CSIC(INIA-CSIC).Campus MontegancedoPozuelo de Alarcon(Madrid)Spain Castor AmsterdamThe Netherlands Department of Bioinformatics-BiGCaT Maastricht UniversityMaastrichtThe Netherlands University Medical Center Groningen University of GroningenGroningenThe Netherlands Maastricht Centre for Systems Biology(MaCSBio) Maastricht UniversityMaastrichtThe Netherlands Department of Computer Science Heriot-Watt UniversityEdinburghUK INSERM US14-OrphanetPlateforme Maladies RaresParisFrance Centre for Digital Scholarship Leiden University LibrariesThe Netherlands Center for Molecular Medicine Cancer Genomics NetherlandsDepartment of GeneticsUniversity Medical Center UtrechtUniversity UtrechtThe Netherlands University of Aveiro DETI/IEETAAveiroPortugal GO FAIR Foundation LeidenThe Netherlands The Leiden Academic Center for Drug Research LeidenThe Netherlands Micel

Since 2014,"Bring Your Own Data"workshops(BYODs)have been organised to inform people about the process and benefits of making resources Findable,Accessible,Interoperable,and Reusable(FAIR,and the FAIRification process).The BYOD workshops'content and format differ depending on their goal,context,and the background and needs of ***-focused BYODs educate domain experts on how to make their data FAIR to find new answers to research ***-focused BYODs promote the benefits of making data FAIR and instruct project managers and policy-makers on the characteristics of FAIRification ***-focused BYODs gather software developers and experts on FAIR to implement or improve software resources that are used to support ***,these BYODs intend to foster collaboration between different types of stakeholders involved in data management,curation,and reuse(*** experts,trainers,developers,data owners,data analysts,FAIR experts).The BYODs also serve as an opportunity to learn what kind of support for FAIRification is needed from different communities and to develop teaching materials based on practical examples and *** this paper,we detail the three different structures of the BYODs and describe examples of early BYODs related to plant breeding data,and rare disease registries and biobanks,which have shaped the structure of the *** discuss the latest insights into making BYODs more productive by leveraging our almost ten years of training experience in these workshops,including successes and encountered ***,we examine how the participants'feedback has motivated the research on FAIR,including the development of workflows and software.

关键词： FAIR FAIRification FAIR expertise Bring Your Own Data Workshop BYOD

Enhancing the Faradaic efficiency of solid oxide electrolysis cells: progress and perspective

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npj Computational Materials 2023年第1期9卷 803-816页

作者： Prashik S.Gaikwad Kunal Mondal Yun Kyung Shin Adri C.T.van duin Gorakh Pawar Department of Material Science and Manufacturing Engineering Idaho National LaboratoryIdaho FallsID 83415USA Department of Mechanical Engineering Pennsylvania State UniversityUniversity ParkPA 16802USA

To reduce global warming,many countries are shifting to sustainable energy production *** oxide electrolysis cells(SOECs)are being considered due to their high hydrogen generation ***,low faradaic efficiency in scaling SOEC technology affects costs and limits large-scale adoption of hydrogen as *** review covers SOECs’critical aspects:current state-of-the-art anode,cathode,and electrolyte materials,operational and materials parameters affecting faradaic efficiency,and computational modeling techniques to resolve bottlenecks affecting SOEC faradaic efficiency.

关键词： shifting electrolyte solid

Skewed superstatistical distributions from a Langevin and Fokker-Planck approach

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Chinese Science Bulletin 2011年第34期56卷 3633-3638页

作者： van DER STRAETEN erik BECK Christian Queen Mary University of London School of Mathematical Sciences

The superstatistics concept is a useful statistical method to describe inhomogeneous complex systems for which a system parameter βfluctuatesonalargespatio-temporal scale. Inthispaper weanalyze ameasuredtimeseriesofwindspeed fluctuationsandextract the superstatistical distribution function f(β) directly from the data. We construct suitable Langevin and Fokker-Planck models with a position dependent β-field and show that they reduce to standard type of superstatistics in the overdamped limit.

关键词：普朗克复杂系统统计方法时间尺度分布函数位置相关不均匀过阻尼

INDEEDopt:a deep learning-based ReaxFF parameterization framework

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npj Computational Materials 2021年第1期7卷 610-618页

作者： Mert Y.Sengul Yao Song Nadire Nayir Yawei Gao Ying Hung Tirthankar Dasgupta Adri C.T.van duin Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPAUSA Department of Statistics and Biostatistics Rutgers UniversityNew BrunswickNJUSA Department of Mechanical Engineering The Pennsylvania State UniversityUniversity ParkPAUSA Department of Physics Karamanoglu Mehmetbey UniversityKaramanTurkey Two-Dimensional Crystal Consortium(2DCC) Materials Research InstituteThe Pennsylvania State UniversityUniversity ParkPAUSA

Empirical interatomic potentials require optimization of force field parameters to tune interatomic interactions to mimic ones obtained by quantum chemistry-based *** optimization of the parameters is complex and requires the development of new ***,we propose an INitial-DEsign Enhanced Deep learning-based OPTimization(INDEEDopt)framework to accelerate and improve the quality of the ReaxFF *** procedure starts with a Latin Hypercube Design(LHD)algorithm that is used to explore the parameter landscape *** LHD passes the information about explored regions to a deep learning model,which finds the minimum discrepancy regions and eliminates unfeasible regions,and constructs a more comprehensive understanding of physically meaningful parameter *** demonstrate the procedure here for the parameterization of a nickel–chromium binary force field and a tungsten–sulfide–carbon–oxygen–hydrogen quinary force *** show that INDEEDopt produces improved accuracies in shorter development time compared to the conventional optimization method.

关键词： optimization chromium nickel

Atomistic fracture in bcc iron revealed by active learning of Gaussian approximation potential

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npj Computational Materials 2023年第1期9卷 135-145页

作者： Lei Zhang Gábor Csányi erik van der Giessen Francesco Maresca Engineering and Technology Institute Groningen Faculty of Science and EngineeringUniversity of GroningenNijenborgh 49747 AG GroningenThe Netherlands Engineering Laboratory University of CambridgeCambridge CB21PZUK Zernike Institute for Advanced Materials University of GroningenNijenborgh 49747 AG GroningenThe Netherlands

The prediction of atomistic fracture mechanisms in body-centred cubic(bcc)iron is essential for understanding its semi-brittle *** atomistic simulations of the crack-tip under mode-I loading based on empirical interatomic potentials yield contradicting predictions and artificial *** enable fracture prediction with quantum accuracy,we develop a Gaussian approximation potential(GAP)using an active learning strategy by extending a density functional theory(DFT)database of ferromagnetic bcc *** apply the active learning algorithm and obtain a Fe GAP model with a converged model uncertainty over a broad range of stress intensity factors(SIFs)and for four crack *** learning efficiency of the approach is analysed,and the predicted critical SIFs are compared with Griffith and Rice *** simulations reveal that cleavage along the original crack plane is the atomistic fracture mechanism for{100}and{110}crack planes at T=0 K,thus settling a long-standing *** work also highlights the need for a multiscale approach to predicting fracture and intrinsic ductility,whereby finite temperature,finite loading rate effects and pre-existing defects(e.g.,nanovoids,dislocations)should be taken explicitly into account.

关键词： approximation potential apply

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初始碳烟颗粒形成的反应分子动力学模拟

工程热物理学报 2017年第5期38卷 1087-1091页

作者：毛倩罗开红 van duin Adri C.T. 清华大学燃烧能源中心和热科学与动力工程教育部重点实验室北京100084 英国伦敦大学学院机械工程系美国宾夕法尼亚州立大学机械与核能工程系宾夕法尼亚州16802

本文采用ReaxFF反应分子动力学模拟的方法研究了温度对PAH生成初始碳烟颗粒的路径的影响。低温时(400 K),PAH单体分子通过物理成核的方式形成初始碳烟颗粒。中等温度时(1600 K),PAH只能形成二聚物或三聚物,无法发生从气相单体到固相碳... 详细信息

本文采用ReaxFF反应分子动力学模拟的方法研究了温度对PAH生成初始碳烟颗粒的路径的影响。低温时(400 K),PAH单体分子通过物理成核的方式形成初始碳烟颗粒。中等温度时(1600 K),PAH只能形成二聚物或三聚物,无法发生从气相单体到固相碳烟颗粒的转变。当温度升高到2500 K,PAH通过化学成核形成碳烟颗粒,PAH分子首先分解形成碳链分子,碳链分子相互链接进一步形成富勒烯结构的碳烟颗粒。

关键词：多环芳烃(PAH) 碳烟成核 ReaxFF 分子动力学模拟(MD)