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Ion emission from warm dense matter produced by irradiation with a soft x-ray free-electron laser

Matter and Radiation at Extremes 2024年第1期9卷 71-84页

作者： Josef Krása Tomás Burian Vera Hájková Jaromír chalupský Šimon Jelínek Katerina Frantálová Michal Krupka Zuzana Kuglerová Sushil Kumar Singh Vojtech Vozda Ludek Vysín MichalŠmíd Pablo Perez-Martin Marion Kühlman Juan Pintor Jakub Cikhardt Matthias Dreimann Dennis Eckermann Felix Rosenthal Sam M.Vinko Alessandro Forte Thomas Gawne Thomas Campbell Shenyuan Ren YuanFeng Shi Trevor Hutchinson Oliver Humphries Thomas Preston Mikako Makita Motoaki Nakatsutsumi Xiayun Pan alexander Köhler Marion Harmand Sven Toleikis Katerina Falk Libor Juha Department of Radiation and chemical Physics Institute of PhysicsCzech Academy of SciencesNa Slovance 218221 Prague 8Czech Republic Laser Plasma Department Institute of Plasma PhysicsCzech Academy of SciencesZa Slovankou 318200 Prague 8Czech Republic Department of Surface and Plasma Science Faculty of Mathematics and PhysicsCharles University in PragueV Holesovi ckách 218000 Prague 8Czech Republic Department of Physical Electronics Faculty of Nuclear Science and Engineering PhysicsCzech Technical University in PragueV Holesovi ckách 218000 Prague 8Czech Republic Helmholtz-Zentrum Dresden-Rossendorf Bautzner Landstraße 40001328 DresdenGermany DESY Photon Science Notkestraße 85D-22607 HamburgGermany Institut de Minéralogie de Physique des Matériaux et de CosmochimieUMR 7590–UPMC/CNRS/IRD/MNHNSorbonne Université4 place Jussieu75005 ParisFrance Department of Physics Faculty of Electrical EngineeringCzech Technical University in PragueTechnická216627 Prague 6Czech Republic Center for Soft Nanoscience University of MünsterBusso-Peus-Straße 10D-48149 MünsterGermany Department of Physics Clarendon LaboratoryUniversity of OxfordParks RoadOxford OX13PUUnited Kingdom Central Laser Facility STFC Rutherford Appleton LaboratoryDidcot OX110QXUnited Kingdom Lawrence Livermore National Laboratory 7000 East AvenueLivermoreCalifornia 94550USA European XFEL GmbH Holzkoppel 4D-22869 SchenefeldGermany Technische Universität Dresden 01062 DresdenGermany

We report on an experiment performed at the FLASH2 free-electron laser(FEL)aimed at producing warm dense matter via soft x-ray isochoric *** the experiment,we focus on study of the ions emitted during the soft x-ray ablation process using time-of-flight electron multipliers and a shifted Maxwell–Boltzmann velocity distribution *** find that most emitted ions are thermal,but that some impurities chemisorbed on the target surface,such as protons,are accelerated by the electrostatic field created in the plasma by escaped *** morphology of the complex crater structure indicates the presence of several ion groups with varying *** find that the ion sound velocity is controlled by the ion temperature and show how the ion yield depends on the FEL radiation attenuation length in different materials.

关键词： electrostatic emitted chemi

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Trapping the Short-chain Odd Carbon Number Olefins Using Nickel(Ⅱ)-Catalyzed Tandem Ethylene Oligomerization and Friedel-Crafts Alkylation of Toluene

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chinese Journal of chemistry 2023年第21期41卷 2855-2865页

作者： Sergey V.Zubkevich Vladislav A.Tuskaev Svetlana ch.Gagieva alexander A.Pavlov Victor N.Khrustalev Fei Wang Li Pan Yuesheng Li Daniele Saracheno Anton A.Vikhrov Dmitry N.Zarubin Boris M.Bulychev Department of chemistry Lomonosov Moscow State UniversityLeninskie Gory 1Moscow119991 Russian Federation Materials Research and Technology Department Luxembourg Institute of Science and Technology5Avenue des Hauts-FourneauxL-4362 Esch-sur-AlzetteLuxembourg A N Nesmeyanov Institute of Organoelement Compounds Russian Academy of SciencesVavilova st.28Moscow119991 Russian Federation BMSTU Center of National Technological Initiative“Digital Material Science:New Material and Substances” Bauman MoscowState Technical University2nd Baumanskaya st.5MoscowRussian Federation Peoples’Friendship University of Russia(RUDN University) Miklukho-Maklay St.6Moscow117198 Russian Federation Zelinsky Institute of Organic chemistry Russian Academy of SciencesLeninsky Prospekt 47Moscow119991 Russian Federation Institute of Advanced Polymer Materials School of Materials Science and EngineeringTianjin UniversityTianjin300350 China

Nickel(Ⅱ)complexes with pyrazole-based ligands are widely employed in catalysis of ethylene oligomerization and subsequent Friedel-Crafts alkylation of *** have prepared ten new nickel(Ⅱ)dibromide complexes with various substituted bis(azolyl)*** have been characterized using^(1)H NMR,IR,high resolution mass spectrometry and elemental *** structures of three complexes have been unambiguously established using X-ray *** was found that these complexes in the presence of Et2AlCl or Et_(3)Al_(2)Cl_(3)are active both in ethylene oligomerization and Friedel-Crafts alkylation processes(activity up to 3720 kgoligomer·mol[Ni]^(−1)·h^(−1)).The use of Et_(3)Al_(2)Cl_(3)results in a higher share of alkylated products(up to 60%).Moreover,catalytic systems activated with Et_(3)Al_(2)Cl_(3)produced small amounts of odd carbon number olefins(up to 0.8%).The Friedel-Crafts alkylation was used as a trap for previously undetected short-chain odd carbon number olefins(C_(3)and C_(5)).

关键词： Ethylene oligomerization Friedel-Crafts alkylation Nickel(Ⅱ)complexes N-ligands Odd carbon number olefins

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Seasonality in human semen quality of smokers and non-smokers: effect of temperature

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Asian Journal of Andrology 2004年第3期6卷 243-247页

作者： Robert Kunzle Michael D.Mueller alexander W.Huber Heinz Drescher Nick A.Bersinger Department of Obstetrics and Gynaecology University of BerneBerneCH-3010SwitzerlandDepartment of Obstetrics and GynaecologyUniversity of BerneBerneCH-3010SwitzerlandDepartment of Obstetrics and GynaecologyUniversity of BerneBerneCH-3010SwitzerlandMCL LaboratoriesDudingenSwitzerlandDepartment of Obstetrics and GynaecologyUniversity of BerneBerneCH-3010Switzerland

Aim: To analyse the possible effect of seasonal variation on semen parameters. Methods: The participants consisted of 1688 men attending the andrology laboratory between 1991 and 1997 for reduced fertility in the couple. Semen analysis was performed according to the WHO manual. The 84 individual months of the study period were each assigned to one of the three groups according to the average monthly outside temperature; Group A (temperature 13.3℃). Results: When comparing the different sperm parameters, the morphology was significantly better in Group C. However, when the smokers were analysed separately, this difference disappeared and significant seasonal variations were found in sperm density, total sperm count, motility and total motile sperm; they were deteriorated in the warmer season. In non-smokers, no such negative effect of increased temperature was observed. Conclusion: Sperm quality is influenced by seasonal factors. Increased environmental temperature, (maybe also light exposure) has an additional negative effect on the spermato-genesis in smokers, leading to reduced sperm quality in men with borderline fertility.

关键词： sperm quality seasonal temperature fertility smoking

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Holographic planar lightwave circuit for on-chip spectroscopy

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Light(Science & Applications) 2014年第1期3卷 85-91页

作者： Giuseppe Calafiore alexander Koshelev Scott Dhuey alexander Goltsov Pavel Sasorov Sergey Babin Vladimir Yankov Stefano Cabrini christophe Peroz aBeam Technologies HaywardCA 94541USA Polytechnic University of Turin 10129 TurinItaly Nano-Optic Devices Santa ClaraCA 95054USA Moscow Institute of Physics and Technology Moscow 141700Russia The Molecular Foundry Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA

Computer-generated planar holograms are a powerful approach for designing planar lightwave circuits with unique *** planar holograms in particular can encode any optical transfer function with high customizability and is compatible with semiconductor lithography techniques and nanoimprint ***,we demonstrate that the integration of multiple holograms on a single device increases the overall spectral range of the spectrometer and offsets any performance decrement resulting from *** validation of a high-resolution spectrometer-on-chip based on digital planar holograms shows performance comparable with that of a *** maintaining the total device footprint below 2 cm2,the newly developed spectrometer achieved a spectral resolution of 0.15 nm in the red and near infrared range,over a 148 nm spectral range and 926 *** approach lays the groundwork for future on-chip spectroscopy and lab-on-chip sensing.

关键词： digital planar holograms integrated optics nanofabrication nanophotonics spectrometer

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Towards Understanding Paleosols in Southern Levantine Eolianites:Integration of Micromorphology,Environmental Magnetism and Mineralogy

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Journal of Mountain Science 2009年第2期6卷 113-124页

作者： alexander Tsatskin Tatyana S.Gendler Friedrich Heller Igal Dekman Gitti L.Frey Laboratory of Geology Zinman Institute of Archaeology University of HaifaHaifa 31905 Israel United Institute of Physics of the Earth RAS Bolshaya Gruzinskaya 10Moscow 123810 Russia Institut für Geophysik ETH ZürichCH-8092 Zürich Switzerland Department of Materials Engineering Technion Haifa 32000 Israel

The paper addresses the controversial question of the role of clay-sized dust in the formation of paleosols in coastal eolianites, Israel. At the Habonim type section, the pedocomplex dated by archaeology and luminescence to 45-135 ka ago shows at least three paleosols, not separated by non-soil sediments. The oldest reddish paleosol （apparently related to MIS 5） is magnetically enhanced, leached from carbonates, with signs of bioturbation and strongly aged clay coatings. The reddening is due to very fine, -20 nm, poorly crystallized, superparamagnetic （SP） hematite, as determined by Mossbauer studies. In subsoil, lithorelics of eolianite are found. Over time, the soil surface aggraded due to accelerated fine dust accumulation alongside local slope wash. On younger materials formed magnetically depleted vertisols, dominated by smectite-type expandable paramagnetic clays. In thin sections, vertisols exhibit strong stipple-speckled and striated b-fabric due to shrink-swell processes, impregnative calcite nodules and Fe-Mn redistribution. The uppermost hydric vertisol shows the strongest expression of juxtaposed features of recurrent calcite and Fe precipitation. This paleosol developed on colluvial soil materials, as evidenced by mixing of clay coated and uncoated grains of quartz and calcite allochems. M6ssbauer spectra show high amounts of Fe（III） incorporated in the clay structure, low amounts of SP goethite and absence of SP hematite. Whilst magnetic susceptibility drops in vertisols to minimal values, increase. The latter along ferrimagnetie grain sizes with differences in the hierarchy of microfabric features is taken as indication for lithologic discontinuities which may have resulted from continuous, albeit variable and low-intensity, input of eolian clay from both remote Saharan and local sources, roughly dated to the earlier to middle part of the Last Glacial.

关键词： Coastal sand loess deposition microfabrie hierarchy magnetic enhancement paramagnetic phyllosilicates MSssbauer effect

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Benchmarking materials property prediction methods:the Matbench test set and Automatminer reference algorithm

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npj Computational Materials 2020年第1期6卷 507-516页

作者： alexander Dunn Qi Wang Alex Ganose Daniel Dopp Anubhav Jain Energy Technologies Area Lawrence Berkeley National Laboratory1 Cyclotron RoadBerkeleyCA 94720USA Department of Materials Science and Engineering University of California210 Hearst Mining BuildingBerkeleyCA 94720USA Department of Computer Science University of Kentucky329 Rose St.LexingtonKY 40506USA

We present a benchmark test suite and an automated machine learning procedure for evaluating supervised machine learning(ML)models for predicting properties of inorganic bulk *** test suite,Matbench,is a set of 13 ML tasks that range in size from 312 to 132k samples and contain data from 10 density functional theory-derived and experimental sources.

关键词： materials automated property

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Machine Learning chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials

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Research 2020年第1期2020卷 978-985页

作者： Maxwell TDylla alexander Dunn Shashwat Anand Anubhav Jain G.Jeffrey Snyder Department of Materials Science and Engineering Northwestern UniversityIL 60208USA Department of Materials Science and Engineering UC BerkeleyCA 94720USA Lawrence Berkeley National Laboratory Energy Technologies AreaCA 94720USA

Half-Heusler materials are strong candidates for thermoelectric applications due to their high weighted mobilities and power factors,which is known to be correlated to valley degeneracy in the electronic band ***,there are over 50 known semiconducting half-Heusler phases,and it is not clear how the chemical composition affects the electronic *** all the n-type electronic structures have their conduction band minimum at either theΓ-or X-point,there is more diversity in the p-type electronic structures,and the valence band maximum can be at either theΓ-,L-,or ***,we use high throughput computation and machine learning to compare the valence bands of known half-Heusler compounds and discover new chemical guidelines for promoting the highly degenerate W-point to the valence band *** do this by constructing an“orbital phase diagram”to cluster the variety of electronic structures expressed by these phases into groups,based on the atomic orbitals that contribute most to their valence ***,with the aid of machine learning,we develop new chemical rules that predict the location of the valence band maximum in each of the *** rules can be used to engineer band structures with band convergence and high valley degeneracy.

关键词： structure valence bands

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A critical examination of compound stability predictions from machine-learned formation energies

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npj Computational Materials 2020年第1期6卷 858-868页

作者： christopher J.Bartel Amalie Trewartha Qi Wang alexander Dunn Anubhav Jain Gerbrand Ceder Department of Materials Science&Engineering University of CaliforniaBerkeleyBerkeleyCA 94720USA Energy Technologies Area Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA Materials Sciences Division Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA

Machine learning has emerged as a novel tool for the efficient prediction of material properties,and claims have been made that machine-learned models for the formation energy of compounds can approach the accuracy of Density Functional Theory(DFT).The models tested in this work include five recently published compositional models,a baseline model using stoichiometry alone,and a structural *** testing seven machine learning models for formation energy on stability predictions using the Materials Project database of DFT calculations for 85,014 unique chemical compositions,we show that while formation energies can indeed be predicted well,all compositional models perform poorly on predicting the stability of compounds,making them considerably less useful than DFT for the discovery and design of new *** critically,in sparse chemical spaces where few stoichiometries have stable compounds,only the structural model is capable of efficiently detecting which materials are *** nonincremental improvement of structural models compared with compositional models is noteworthy and encourages the use of structural models for materials discovery,with the constraint that for any new composition,the ground-state structure is not known a *** work demonstrates that accurate predictions of formation energy do not imply accurate predictions of stability,emphasizing the importance of assessing model performance on stability predictions,for which we provide a set of publicly available tests.

关键词： stability critical solids

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Resilience Building and Collaborative Governance for Climate change Adaptation in Response to a New State of More Frequent and Intense Extreme Weather Events

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International Journal of Disaster Risk Science 2023年第1期14卷 162-169页

作者： Huiling Ouyang Xu Tang Renhe Zhang alexander Baklanov Guy Brasseur Rajesh Kumar Qunli Han Yong Luo Department of Atmospheric and Oceanic Sciences&Institute of Atmospheric Sciences Fudan UniversityShanghai200438China Fudan Development Institute Fudan UniversityShanghai200433China Integrated Research on Disaster Risk(IRDR)International Centre of Excellence(ICoE)on Risk Interconnectivity and Governance on Weather/Climate Extremes Impact and Public Health Fudan UniversityShanghai200438China Science and Innovation Department World Meteorological Organization(WMO)CH1211GenevaSwitzerland Max Planck Institute for Meteorology 20146HamburgGermany Research Applications Laboratory National Center for Atmospheric ResearchBoulderCO80301USA Integrated Research on Disaster Risk(IRDR)−International Programme Office(IPO) Beijing100094China Ministry of Education Key Laboratory for Earth System Modeling and Department of Earth System ScienceTsinghua UniversityBeijing100084China

The weather conditions of the summer of 2022 were very unusual,particularly in Eastern Asia,Europe,and North *** devasting impact of climate change has come to our attention,with much hotter and drier conditions,and with more frequent and intense flooding *** extreme events have reached a dangerous level,increasingly threatening human *** interconnected risks caused by these extreme disaster events are triggering a chain effect,forcing us to respond to these crises through changes in our living environment,which affect the atmosphere,the biosphere,the economy including the availability of energy,our cities,and our global ***,we have to confront the abnormal consequences of untypical,rapid changes of extreme events and fast switches between extreme states,such as from severe drought to devastating *** this new situation,it is crucial to improve the adaptation capacity of our societies in order to reduce the risks associated with climate change,and to develop smarter strategies for climate ***-quality development must be science-based,balanced,safe,sustainable,and climate-resilient,supported by the collaborative governance of climate mitigation and *** article provides some recommendations and suggestions for resilience building and collaborative governance with respect to climate adaptation in response to a new planetary state that is characterized by more frequent and severe extreme weather events.

关键词： Climate change adaptation Collaborative governance Extreme weather events Resilience building

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A Continuous Action Space Tree search for INverse desiGn (CASTING) framework for materials discovery

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npj Computational Materials 2023年第1期9卷 500-515页

作者： Suvo Banik Troy Loefller Sukriti Manna Henry chan Srilok Srinivasan Pierre Darancet alexander Hexemer Subramanian K.R.S.Sankaranarayanan Center for Nanoscale Materials Argonne National LaboratoryLemontIL 60439USA Department of Mechanical and Industrial Engineering University of IllinoisChicagoIL 60607USA Advanced Light Source(ALS)Division Lawrence Berkeley National LaboratoryBerkeleyCA 94720USA

Material properties share an intrinsic relationship with their structural attributes,making inverse design approaches crucial for discovering new materials with desired *** Learning(RL)approaches are emerging as powerful inverse design tools,often functioning in discrete action *** constrains their application in materials design problems,which involve continuous search ***,we introduce an RL-based framework CASTING(Continuous Action Space Tree Search for inverse design),that employs a decision tree-based Monte Carlo Tree Search(MCTS)algorithm with continuous space adaptation through modified policies and *** representative examples like Silver(Ag)for metals,Carbon(C)for covalent systems,and multicomponent systems such as graphane,boron nitride,and complex correlated oxides,we showcase its accuracy,convergence speed,and scalability in materials discovery and ***,with the inverse design of super-hard Carbon phases,we demonstrate CASTING’s utility in discovering metastable phases tailored to user-defined target properties and preferences.

关键词： Action framework Tree

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