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Quantum point defects in 2D materials-the QPOD database

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npj Computational Materials 2022年第1期8卷 532-547页

作者： fabian Bertoldo Sajid Ali Simone Manti Kristian S.Thygesen CAMD Computational Atomic-Scale Materials DesignDepartment of PhysicsTechnical University of Denmark2800Kgs.LyngbyDenmark

Atomically thin two-dimensional(2D)materials are ideal host systems for quantum defects as they offer easier characterisation,manipulation and read-out of defect states as compared to bulk *** we introduce the Quantum Point Defect(QPOD)database with more than 1900 defect systems comprising various charge states of 503 intrinsic point defects(vacancies and antisites)in 82 different 2D semiconductors and *** Atomic Simulation Recipes(ASR)workflow framework was used to perform density functional theory(DFT)calculations of defect formation energies,charge transition levels,Fermi level positions,equilibrium defect and carrier concentrations,transition dipole moments,hyperfine coupling,and zero-field *** states and photoluminescence spectra were calculated for selected high-spin *** this paper we describe the calculations and workflow behind the QPOD database,present an overview of its content,and discuss some general trends and correlations in the *** analyse the degree of defect tolerance as well as intrinsic dopability of the host materials and identify promising defects for quantum technological *** database is freely available and can be browsed via a web-app interlinked with the Computational 2D Materials Database(C2DB).

关键词： database Quantum point

Targeting lysophospholipid signaling as a therapeutic approach towards improved peripheral nerve regeneration

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Neural Regeneration Research 2016年第11期11卷 1754-1755页

作者： fabian Szepanowski Bernd C.Kieseier Department of Neurology Medical FacultyHeinrich-Heine-University

Peripheral nerve injury causes a partial or total loss of motor and sensory functions as a result of axonal disruption and subsequent axonal disintegration as well as denervation distal from the point of injury. Although peripheral nerves are, in contrast to the central nervous system, able to regenerate and reinnervate, functionality is not always restored completely due to insufficient reinnervation or remyelination, and injury may result in sequelae such as neuropathic pain. The degenerative processes following peripheral nerve injury are generally referred to as Wallerian degeneration （Gaudet et al., 2011）.

关键词： FTY LPA AMP

Morphological aspects of small-duct cholangiopathies:A minireview

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World Journal of Hepatology 2023年第4期15卷 538-553页

作者： Eva Sticova Ondrej fabian Clinical and Transplant Pathology Centre Institute for Clinical and Experimental MedicinePrague 14021Czech Republic Department of Pathology The Third Faculty of MedicineCharles University and University Hospital Kralovske VinohradyPrague 10000Czech Republic Department of Pathology and Molecular Medicine The Third faculty of MedicineCharles University and Thomayer University HospitalPrague 14059Czech Republic

The biliary system consists of intrahepatic and extrahepatic bile ducts lined by biliary epithelial cells(cholangiocytes).Bile ducts and cholangiocytes are affected by a variety of disorders called cholangiopathies,which differ in aetiology,pathogenesis,and *** of cholangiopathies is complex and reflects pathogenic mechanisms(immune-mediated,genetic,drug-and toxininduced,ischaemic,infectious,neoplastic),predominant morphological patterns of biliary injury(suppurative and non-suppurative cholangitis,cholangiopathy),and specific segments of the biliary tree affected by the disease *** the involvement of large extrahepatic and intrahepatic bile ducts is typically visualised using radiology imaging,histopathological examination of liver tissue obtained by percutaneous liver biopsy still plays an important role in the diagnosis of cholangiopathies affecting the small intrahepatic bile *** increase the diagnostic yield of a liver biopsy and determine the optimal therapeutic approach,the referring clinician is tasked with interpreting the results of histopathological *** requires knowledge and understanding of basic morphological patterns of hepatobiliary injury and an ability to correlate microscopic findings with results obtained by imaging and laboratory *** minireview describes the morphological aspects of small-duct cholangiopathies pertaining to the diagnostic process.

关键词： Bile duct Cholangiocytes Cholangiopathy Cholangitis Liver biopsy Histopathology

Ba substitution for enhancement of the thermoelectric properties of LaCoO_(3) ceramics(0≤x≤0.75)

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Journal of Advanced Ceramics 2019年第4期8卷 519-526页

作者： Mohamed Ali BOUSNINA Fabien GIOVANNELLI Loic PERRIERE Guillaume GUEGAN fabian DELORME Université Francois Rabelais de Tours CNRSINSA CVLGREMAN UMR7347IUT de Blois15 rue de la chocolaterieCS2903F-41029 Blois CedexFrance UniversitéParis 13 Sorbonne Paris CiteLaboratoire des Sciences des Procédés et des MatériauxCNRSUPR 340799 avenue J.B.ClémentF-93430 VilletaneuseFrance Institut de Chimie et des Matériaux Paris-Est UMR 7182 CNRS-UPEC2-8 Rue Henri Dunant94320 ThiaisFrance ST Microelectronics 16 Rue Pierre et Marie CurieTours 37100France

In the present work, dense perovskite ceramics were successfully prepared from a series of La1-xBaxCoO3 solid solutions in the range of substitution 0 ≤ x ≤ 0.75 using solid state reaction and conventional sintering. Structural properties of La1-xBaxCoO3 were systematically investigated and thermoelectric properties were measured in the temperature range of 330–1000 K. The results show that the thermoelectric properties of Ba-substituted LaCoO3 depend on x. Indeed, at 330 K, electrical conductivity presents an optimum value for x = 0.25 with a value of σmax ≈ 2.2×105 S·m–1 whereas the Seebeck coefficient decreases when x and/or the temperature increases. The Ba-substituted LaCoO3 samples exhibit p-type semiconducting behaviour. The best power factor value found is 3.4×10–4 W·m–1·K–2 at 330 K for x = 0.075, which is 10% higher than the optimum value measured in La1–xSrxCoO3 for x = 0.05. The thermal diffusivity and thermal conductivity increase with increasing temperature and Ba concentration. La1-xBaxCoO3 shows a maximum figure of merit(ZT = 0.048) for x = 0.05 at 330 K, 25% higher than the best value in La1–xSrxCoO3 compounds.

关键词： perovskite Ba-substituted LaCoO_(3) oxide thermoelectric p-type semiconductor

Low-complexity online correction and calibration of pedestrian dead reckoning using map matching and GPS

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Geo-Spatial Information Science 2019年第2期22卷 114-127,I0004页

作者： fabian Hölzke Johann-P.Wolff Frank Golatowski Christian Haubelt Institute of Applied Microelectronics and CE University of RostockRostockGermany

Dead Reckoning is a relative positioning scheme that is used to infer the change of position relative to a point of origin by measuring the traveled distance and orientation *** Dead Reckoning(PDR)applies this concept to walking *** method can be used to track someone's movement in a building after a known landmark like the building's entrance is ***,the movement of a foot and the corresponding direction change is measured and summed up,to infer the current *** and integrating the corresponding physical parameters,*** inertial sensors,introduces small errors that accumulate quickly into large distance *** of a buildings geography may reduce these errors as it can be used to keep the estimated position from moving through walls and onto likely *** this paper,we use building maps to improve localization based on a single foot-mounted inertial *** describe our localization method using zero velocity updates to accurately compute the length of individual steps and a Madgwick filter to determine the step *** though the computation of individual steps is quite accurate,small errors still accumulate in the long *** show how correction algorithms using likely and unlikely paths can rectify errors intrinsic to pedestrian dead reckoning tasks,such as orientation and displacement drift,and discuss restrictions and disadvantages of these *** also present a method of deriving the initial position and orientation from GPS *** verify our PDR correction methods analyzing the corrected and raw trajectories of six participants walking four routes of varying length and complexity through an office building,walking each route three *** quantitative results show an endpoint accuracy improvement of up to 60%when using likely paths and 23%when using unlikely ***,both approaches can also decrease accuracy in certain *** identify those scenarios and

关键词： Indoor localization Pedestrian Dead Reckoning(PDR) Inertial Navigation System(INS) map matching Zero Velocity Update(ZUPT)

Influence of Bi on the thermoelectric properties of SrTiO_(3-d)

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Journal of Materiomics 2019年第1期5卷 88-93页

作者： Cong Chen Mohamed Bousnina Fabien Giovannelli fabian Delorme Universite de Tours CNRSINSA CVLGREMAN UMR 7347IUT de Blois15 rue de la chocolaterieCS 290341029Blois CedexFrance Bundesanstalt für Materialforschung und eprüfung(BAM) Unter den Eichen 8712205BerlinGermany

The thermoelectric properties of Sr1-xBixTiO_(3-δ)(0≤x≤0.07)have been *** ceramics of Sr1-xBixTiO_(3-δ) and Sr0.95TiO_(3-δ) have been prepared by solid-state reaction and conventional sintering in air followed by annealing in a reducing *** and SEM analyses show that the rutile TiO_(2 i)n Sr_(0.95)TiO_(3) formed after sintering becomes Magneli phase of TinO_(2n-1) after ***,Bi resolves from Sr1-xBixTiO_(3 )after annealing,resulting in the formation of Sr1-xBixTiO_(3-δ)/Bi/TinO_(2n-1) *** increasing Bi content in Sr1-xBixTiO_(3-δ),the electrical conductivity increases while the absolute values of the Seebeck coefficient decrease as a result of increasing carrier *** thermal conductivity of SrTiO_(3-δ) is reduced by doping Bi up to x=*** ZT~0.13 is obtained in Sr0.93Bi0.07TiO_(3-δ) at 1000 K.

关键词： Thermoelectrics SrTiO_(3) Composite Bi Magneli phase

CFD–DEM simulation of fine particles in a spouted bed apparatus with a Wurster tube

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Particuology 2019年第1期17卷 114-125页

作者： Paul Breuninger Dominik Weis Isabell Behrendt Philipp Grohn fabian Krull Sergiy Antonyuk Institute of Particle Process Engineering University of KaiserslauternGottlieb Daimler Str.. KaiserslauternGermany

In this work, a coupled computational fluid dynamics–discrete element method (CFD–DEM) approach was employed to evaluate the spouting behavior of fine, cohesive powders in a cylindrical spouted bed with a conical base and equipped with a Wurster tube. The particle and gas dynamics inside the apparatus were simulated with 1.7 million spherical ZrO2 particles with a particle size of 100 μm. For an accurate prediction of the interactions of cohesive particles in the spouted bed, the adhesion forces according to JKR theory were included in the Hertz–Tsuji contact model. The surface energy of the particles was varied over a wide range to determine the effect of the adhesion on the spouting (the fountain shape and maximum height as well as the distribution of the concentrations and velocities of particles in different zones of the apparatus). A detailed analysis of the collision dynamics was conducted. The spouting behavior of a spouted bed with the same dimensions, particles, and processing parameters was recorded with a high-speed camera. The CFD–DEM simulations showed good agreement with the experimentally captured spouting behavior.

关键词： CFD–DEM Spouted bed Wurster tube Cohesive powder

Particle flow simulations with homogenised lattice Boltzmann methods

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Particuology 2017年第5期15卷 1-13页

作者： Mathias J. Krause fabian Klemens Thomas Henn Robin Trunk Hermann Nirschl Institute for Applied and Numerical Mathematics Karlsruhe Institute of Technology 76021 Karlsruhe Germany Institute for Mechanical Process Engineering and Mechanics Karlsruhe Institute of Technology 76021 Karlsruhe Germany

An alternative approach to simulating arbitrarily shaped particles submersed in viscous fluid in two dimensions is proposed, obtained by adapting the velocity parameter of the equilibrium distribution function of a standard lattice Boltzmann method （LBM）. Comparisons of exemplifying simulations to results in the literature validate the approach as well as the convergence analysis. Pressure fluctuations occurring in Ladd＇s approach are greatly reduced. In comparison with the immersed boundary method, this approach does not require cost intensive interpolations. The parallel efficiency of LBM is retained. An intrinsic momentum transfer is observed during particle-particle collisions. To demonstrate the capa- bilities of the approach, sedimentation of particles of several shapes is simulated despite omitting an explicit particle collision model.

关键词： Particulate flow simulationsArbitrarily shaped particlesLattice Boltzmann methodsValidationSedimentation processes

Imported Tea-based Drinks in China: Marketing Strategies for Vivaris Getr(?)nke in the Chinese Beverage Market

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Imported Tea-based Drinks in China: Marketing Strategies for...

作者： fabian Mainka 上海交通大学

学位级别：硕士

The purpose of this dissertation was to investigate the Chinese market for ready-to-drink tea-based beverages and to develop a marketing strategy guide for foreign companies planning to enter the Chinese *** a case study,the German beverage company Vivaris Getr(?)nke Gmb H was selected based on which a market-oriented marketing strategy for its Mio Mio Mate beverage in the Chinese beverage market was *** order to establish a theoretical foundation for the company and industry analysis,a theoretical evaluation of marketing and market analysis concepts was first *** the scope of the evaluation and continuation of the theoretical section,the classification,delineation,and challenges of the Chinese beverage market and its market participants were investigated further to serve as a basis for how German beverage companies should currently and in the future orient themselves to customer needs and position themselves as a new market *** employed strategic methods included the PEST,SWOT,and Porter's five forces *** the qualitative assessment,various elements necessary for the development of marketing strategies and tools for the Chinese beverage industry were illustrated.A quantitative survey of Chinese consumers(n = 379)was then conducted in order to gain a comprehensive understanding of their needs and investigate the various variables influencing beverage evaluation,purchasing intentions,and buying behavior,such as age,price,drink preferences,novelty,and health-related qualities,with the intention of integrating them into the strategic and operational marketing *** results demonstrate that the demographic variables age and occupation significantly influenced marketing-relevant variables,with individuals who are employed and between the ages of 20 and 40 showing the highest expected customer satisfaction and declared purchase intentions for imported ready-to-drink tea-based ***,the findings illustra

关键词： chinese beverage market marketing strategy foreign beverage companies purchase intentions