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Towards implementation of alloy-specific thermo-fluid modelling for laser powder-bed fusion of Mg alloys

Journal of Magnesium and Alloys 2024年第6期12卷 2327-2344页

作者： Mohammad Hoseini-Athar Mikael Ersson Peter Hedström Department of Material Science and Engineering KTH Royal Institute of TechnologyStockholmSE-10044 Sweden

Multi-physics thermo-fluid modeling has been extensively used as an approach to understand melt pool dynamics and defect formation as well as optimizing the process-related parameters of laser powder-bed fusion(L-PBF).However,its capabilities for being implemented as a reliable tool for material design,where minor changes in material-related parameters must be accurately captured,is still in *** the present research,first,a thermo-fluid computational fluid dynamics(CFD)model is developed and validated against experimental *** the predicted material properties of the pure Mg and commercial ZK60 and WE43 Mg alloys,parametric studies are done attempting to elucidate how the difference in some of the material properties,i.e.,saturated vapor pressure,viscosity,and solidification range,can influence the melt pool *** is found that a higher saturated vapor pressure,associated with the ZK60 alloy,leads to a deeper unstable keyhole,increasing the keyhole-induced porosity and evaporation mass *** viscosity and wider solidification range can increase the non-uniformity of temperature and velocity distribution on the keyhole walls,resulting in increased keyhole instability and formation of ***,the WE43 alloy showed the best behavior in terms of defect formation and evaporation mass loss,providing theoretical support to the extensive use of this alloy in *** summary,this study suggests an approach to investigate the effect of materials-related parameters on L-PBF melting and solidification,which can be extremely helpful for future design of new alloys suitable for L-PBF.

关键词： Mg alloys Laser powder-bed fusion(L-PBF) Melt pool dynamics Computational fluid dynamics Fluid flow

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Research progress in CALPHAD assisted metal additive manufacturing

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China Foundry 2024年第4期21卷 295-310页

作者： Ya-qing Hou Xiao-qun Li Wei-dong Cai Qing Chen Wei-ce Gao Du-peng He Xue-hui Chen Hang Su China Iron&Steel Research institute Group Beijing 100081China Thermo-Calc Software AB SolnaSE-169Sweden KTH Royal institute of Technology StockholmSE-100Sweden Central Iron and Steel Research institute Beijing 100081China

Metal additive manufacturing(MAM)technology has experienced rapid development in recent *** both equipment and materials progress towards increased maturity and commercialization,material metallurgy technology based on high energy sources has become a key factor influencing the future development of *** calculation of phase diagrams(CALPHAD)is an essential method and tool for constructing multi-component phase diagrams by employing experimental phase diagrams and Gibbs free energy models of simple *** combining with the element mobility data and non-equilibrium phase transition model,it has been widely used in the analysis of traditional metal *** development of CALPHAD application technology for MAM is focused on the compositional design of printable materials,the reduction of metallurgical imperfections,and the control of microstructural *** endeavor carries considerable theoretical and practical *** paper summarizes the important achievements of CALPHAD in additive manufacturing(AM)technology in recent years,including material design,process parameter optimization,microstructure evolution simulation,and properties ***,the limitations of applying CALPHAD technology to MAM technology are discussed,along with prospective research directions.

关键词： metal additive manufacturing CALPHAD integrated computational material engineering powder bed fusion material design microstructure simulation

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Hydrochar and synthetic natural gas co-production for a full circular economy implementation via hydrothermal carbonization and methanation:An economic approach

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Journal of Environmental Sciences 2024年第6期140卷 69-78页

作者： Judith González-Arias Guillermo Torres-sempere Miriam González-Castaño Francisco MBaena-Moreno Tomás RReina Inorganic Chemistry Department and Materials Sciences institute University of Seville-CSICSevilleSpain Materials Sciences institute(ICMse) CSIC-University of SevilleSevilleSpain Department of Chemistry and Chemical Engineering Chalmers University of TechnologyGothenburgSE 41296Sweden

Herein we study the economic performance of hydrochar and synthetic natural gas coproduction from olive tree *** process entails a combination of hydrothermal carbonization and *** a previous work,we evidenced that standalone hydrochar production via HTC results ***,we propose a step forward on the process design by implementing a methanation,adding value to the gas effluent in an attempt to boost the overall process techno-economic *** different plant capacities were analyzed(312.5,625 and 1250 kg/hr).The baseline scenarios showed that,under the current circumstances,our circular economy strategy in *** analysis of the revenues shows that hydrochar selling price have a high impact on NPV and subsidies for renewable coal production could help to boost the profitability of the *** the contrary,the analysis for natural gas prices reveals that prices 8 times higher than the current ones in Spain must be achieved to reach *** seems unlikely even under the presence of a strong subsidy *** costs analysis suggests that a remarkable electricity cost reduction or electricity consumption of the HTC stage could be a potential strategy to reach profitability ***,significant reduction of green hydrogen production costs is deemed instrumental to improve the economic performance of the *** results show the formidable techno-economic challenge that our society faces in the path towards circular economy societies.

关键词： Hydrothermal carbonization CO_(2)waste valorization Methanation Profitability analysis

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Patients Transportation in Surgery Scheduling Problem

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Journal of Systems Science & Complexity 2024年第3期37卷 1100-1113页

作者： CHIKHI Nacira DJEHICHE Boualem Department of Operations Research Faculty of MathematicsUniversity of Science and Technology USTHBBab-Ezzouar 161llAlgeria Department of Mathematics KTH Royal Institute of TechnologySE-10044 StockholmSweden

The scheduling problem in surgery is difficult because, in addition of the planning of the operating rooms which are the most expensive resources in hospitals, each surgery requires a combination of human and material resources. In this paper, the authors address a surgery scheduling problem which arises in operated health care facility. Moreover, the authors consider simultaneously materiel and human resources. This problem is a three-stages flow shop scheduling environment. The first stage(ward) contains a limited number of resources of the same type(beds);The second stage contains different resources with limited capacity(operating rooms, surgeons, nurses, anesthesiologists)and the third stage contains a limited number of recovery beds. There is also a limited number of transporters(porters) between the ward and the other stages. The objective of the problem is to minimize the completion time of the last patient(makespan). The authors formulate this NP-Hard problem in a mixed integer programming model and conduct computational experiments to evaluate the performance of the proposed model.

关键词： Makespan patient scheduling surgery transport

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Enhanced photoluminescence of a microporous quantum dot color conversion layer by inkjet printing

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Nano Research 2024年第8期17卷 7717-7725页

作者： Junchi Chen Qihao Jin Yidenekachew.J.Donie Orlando.T.Perales Dmitry Busko Bryce.S.Richards Uli Lemmer Light Technology institute(LTI) Karlsruhe Institute of Technology(KIT)Engesserstrasse 1376131 KarlsruheGermany Department of Chemical Engineering and Materials Science University of Minnesota(UMN)421 Washington Ave.SEMinneapolisMN 55455-0132USA institute for Microstructure Technology Karlsruhe Institute of Technology(KIT)Hermann-von-Helmholtz-Platz 176344 Eggenstein-LeopoldshafenGermany

Owing to their high color purity,tunable bandgap,and high efficiency,quantum dots(QDs)have gained significant attention as color conversion materials for high-end display ***,inkjet-printed QD pixels show great potential for realizing full-color mini/micro-light emitting diode(micro-LED)-based *** a color conversion layer,the photoluminescence intensity of QDs is limited by the insufficient absorptance of the excitation light due to the lack of *** scatterers,such as titanium dioxide microparticles,have been applied after additional surface engineering for sufficient dispersity to prevent nozzle clogging in inkjet printing *** our work,as an alternative approach,we use inkjet printing for depositing a phase separating polymer ink based on polystyrene(PS)and polyethylene glycol(PEG).QD/polymer composite pixels with scattering micropores are *** morphology of the micropores can be tailored by the weight ratio between PS and PEG which enables the manipulation of scattering *** the presence of the microporous structure,the photoluminescence intensity of the QD film is enhanced by 110%in drop-cast films and by 35.3%in inkjet-printed QD pixel arrays compared to the reference samples.

关键词： porous structure inkjet printing phase separation quantum dots display technology

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Metabolic collaboration between cells in the tumor microenvironment has a negligible effect on tumor growth

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The Innovation 2024年第2期5卷 107-114页

作者： Johan Gustafsson Fariba Roshanzamir Anders Hagnestål Sagar M.Patel Oseeyi I.Daudu Donald F.Becker Jonathan L.Robinson Jens Nielsen Department of Life Sciences Chalmers University of TechnologySE-41296 GothenburgSweden Hagnesia AB SE-43854 HindåsSweden Department of Biochemistry and Redox Biology Center University of Nebraska-LincolnLincolnNE 68588USA BioInnovation institute DK2200 CopenhagenDenmark

The tumor microenvironment is composed of a complex mixture of different cell types interacting under conditions of nutrient deprivation,but the metabolism therein is not fully understood due to difficulties in measuring metabolic fluxes and exchange of metabolites between different cell types in ***-scale metabolic modeling enables estimation of such exchange fluxes as well as an opportunity to gain insight into the metabolic behavior of individual cell ***,we estimated the availability of nutrients and oxygen within the tumor microenvironment using concentration measurements from blood together with a metabolite diffusion *** addition,we developed an approach to efficiently apply enzyme usage constraints in a comprehensive metabolic model of human *** combined modeling reproduced severe hypoxic conditions and the Warburg effect,and we found that limitations in enzymatic capacity contribute to cancer cells’preferential use of glutamine as a substrate to the citric acid ***,we investigated the common hypothesis that some stromal cells are exploited by cancer cells to produce metabolites useful for the cancer *** identified over 200 potential metabolites that could support collaboration between cancer cells and cancer-associated fibroblasts,but when limiting to metabolites previously identified to participate in such collaboration,no growth advantage was *** work highlights the importance of enzymatic capacity limitations for cell behaviors and exemplifies the utility of enzyme-constrained models for accurate prediction of metabolism in cells and tumor microenvironments.

关键词： metabolism effect limitations

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Elasto-inertial focusing and particle migration in high aspect ratio microchannels for highthroughput separation

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Microsystems & Nanoengineering 2024年第3期10卷 381-394页

作者： selim Tanriverdi Javier Cruz Shahriar Habibi Kasra Amini Martim Costa Fredrik Lundell Gustaf Mårtensson Luca Brandt Outi Tammisola Aman Russom Division of Nanobiotechnology Department of Protein ScienceScience for Life LaboratoryKTH Royal Institute of TechnologySolna 17165Sweden Division of Microsystems Technology Department of Materials Science and EngineeringUppsala UniversityUppsala 75237Sweden FLOW and seRC(Swedish e-Science Research Centre) Department of Engineering MechanicsRoyal Institute of TechnologyStockholm SE 10044Sweden FLOW and Fluid Physics Laboratory Department of Engineering MechanicsRoyal Institute of TechnologyStockholmSweden Wallenberg Wood Science Center Royal Institute of TechnologyStockholm SE 10044Sweden Department of Energy and Process Engineering Norwegian University of Science and Technology(NTNU)TrondheimNorway AIMES Center for the Advancement of Integrated Medical and Engineering Sciences at Karolinska institutet and KTH Royal institute of Technology StockholmSweden

The combination of flow elasticity and inertia has emerged as a viable tool for focusing and manipulating particles using *** there is considerable interest in the field of elasto-inertial microfluidics owing to its potential applications,research on particle focusing has been mostly limited to low Reynolds numbers(Reseveral parameters that had an impact on particle focusing,such as the particle size,channel dimensions,concentration of viscoelastic fluid,and flow *** experimental work covered a wide range of dimensionless numbers(0.05senberg numberseparations of 5μm,7μm and 10μm particles in a sheathless flow at a throughput of 150μL/*** work elucidates the complex particle transport in elasto-inertial flows and has great potential for the development of high-throughput and high-resolution particle separation for biomedical and environmental applications.

关键词： particle separation straight

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Viability of all-solid-state lithium metal battery coupled with oxide solid-state electrolyte and high-capacity cathode

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Journal of Energy Chemistry 2024年第4期91卷 122-131页

作者： Xingxing Jiao Xieyu Xu Yongjing Wang Xuyang Wang Yaqi Chen Shizhao Xiong Weiqing Yang Zhongxiao Song Yangyang Liu Research institute of Frontier Science Southwest Jiaotong UniversityChengdu 610031SichuanChina State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong UniversityXi'an 710049ShaanxiChina Department of Physics Chalmers University of TechnologyGöteborgSE 41296Sweden

Owing to the utilization of lithium metal as anode with the ultrahigh theoretical capacity density of 3860 mA h g^(-1)and oxide-based ceramic solid-state electrolytes(se),e.g.,garnet-type Li7La_(3)Zr_(2)O_(12)(LLZO),all-state-state lithium metal batteries(ASLMBs)have been widely accepted as the promising alternatives for providing the satisfactory energy density and ***,its applications are still challenged by plenty of technical and scientific *** this contribution,the co-sintering temperature at 500℃is proved as a compromise method to fabricate the composite cathode with structural integrity and declined capacity fading of LiNi_(0.5)Co_(0.2)Mn_(0.3)O_(2)(NCM).On the other hand,it tends to form weaker grain boundary(GB)inside polycrystalline LLZO at inadequate sintering temperature for LLZO,which can induce the intergranular failure of se during the growth of Li filament inside the unavoidable defect on the interface of ***,increasing the strength of GB,refining the grain to 0.4μm,and precluding the interfacial defect are suggested to postpone the electro-chemo-mechanical failure of se with weak ***,the advanced sintering techniques to lower the co-sintering temperature for both NCM-LLZO composite cathode and LLZO se can be posted out to realize the viability of state-of-the-art ASLMBs with higher energy density as well as the guaranteed safety.

关键词： All-solid-state lithium metal battery LiNi_(0.5C)o_(0.2)Mn_(0.3)O_(2)-Li7La_(3)Zr_(2)O_(12)composite cathode Co-sintering Lithium metal anode Electro-chemo-mechanical failure

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Ab initio density response and local field factor of warm dense hydrogen

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Matter and Radiation at Extremes 2024年第5期9卷 48-67页

作者： Tobias Dornheim sebastian Schwalbe Panagiotis Tolias Maximilian P.Böhme Zhandos A.Moldabekov Jan Vorberger Center for Advanced Systems Understanding(CASUS) D-02826 GörlitzGermany Helmholtz-Zentrum Dresden-Rossendorf(HZDR) D-01328 DresdenGermany Space and Plasma Physics Royal Institute of Technology(KTH)Stockholm SE-10044Sweden Technische Universität Dresden D-01062 DresdenGermany

We present quasi-exact ab initio path integral Monte Carlo(PIMC)results for the partial static density responses and local field factors of hydrogen in the warm dense matter regime,from solid density conditions to the strongly compressed *** full dynamic treatment of electrons and protons on the same footing allows us to rigorously quantify both electronic and ionic exchange–correlation effects in the system,and to compare the results with those of earlier incomplete models such as the archetypal uniform electron gas or electrons in a fixed ion snapshot potential that do not take into account the interplay between the two *** full electronic density response is highly sensitive to electronic localization around the ions,and our results constitute unambiguous predictions for upcoming X-ray Thomson scattering experiments with hydrogen jets and fusion *** PIMC results are made freely available and can be used directly for a gamut of applications,including inertial confinement fusion calculations and the modeling of dense astrophysical ***,they constitute invaluable benchmark data for approximate but computationally less demanding approaches such as density functional theory or PIMC within the fixed-node approximation.

关键词： local incomplete rigorous

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Recent Ventures in Interdisciplinary Arctic Research:The ARCPATH Project

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Advances in Atmospheric Sciences 2024年第8期41卷 1559-1568页

作者： Astrid E.J.OGILVIE Leslie A.KING Noel KEENLYSIDE François COUNILLON Brynhildur DAVIÐSDÓTTIR Níels EINARSSON sergey GULEV Ke FAN Torben KOENIGK James R.MCGOODWIN Marianne H.RASMUSSON Shuting YANG institute of Arctic and Alpine Research(INSTAAR) University of ColoradoBoulder CO 80303USA Stefansson Arctic institute AkureyriÍS-600Iceland Royal Roads University BC V9B 5Y2Canada University of Bergen Bergen N-5007Norway Nansen Environmental and Remote sensing Centre Bergen N-5007Norway University of Iceland Reykjavík 102Iceland Shirshov institute of Oceanology Moscow 117218Russia Moscow State University Moscow 11991Russia Chinese Academy of Sciences Beijing 100045China Swedish Meteorological and Hydrological institute SE-60176 NorrköpingSweden Danish Meteorological institute CopenhagenØ2100Denmark Obukhov institute of Atmospheric Physics RAS119017MoscowRussia

This paper celebrates Professor Yongqi GAO's significant achievement in the field of interdisciplinary studies within the context of his final research project Arctic Climate Predictions: Pathways to Resilient Sustainable Societies-ARCPATH(https://***/en/projects/finished-projects/arcpath). The disciplines represented in the project are related to climatology, anthropology, marine biology, economics, and the broad spectrum of social-ecological studies. Team members were drawn from the Nordic countries, Russia, China, the United States, and Canada. The project was transdisciplinary as well as interdisciplinary as it included collaboration with local knowledge holders. ARCPATH made significant contributions to Arctic research through an improved understanding of the mechanisms that drive climate variability in the Arctic. In tandem with this research, a combination of historical investigations and social, economic, and marine biological fieldwork was carried out for the project study areas of Iceland, Greenland, Norway, and the surrounding seas, with a focus on the joint use of ocean and sea-ice data as well as social-ecological drivers. ARCPATH was able to provide an improved framework for predicting the near-term variation of Arctic climate on spatial scales relevant to society, as well as evaluating possible related changes in socioeconomic realms. In summary, through the integration of information from several different disciplines and research approaches, ARCPATH served to create new and valuable knowledge on crucial issues, thus providing new pathways to action for Arctic communities.

关键词： Recent Ventures in Interdisciplinary Arctic Research:The ARCPATH Project

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