bluuebunny/crossref_metadata_2025 huggingface dataset:
AVIATOR - Assessing aViation emission Impact on local Air quality at airports: TOwards Regulation
Authors: Archilla Víctor , Hormigo Dévora , Sánchez-García María , Raper David
Published: December 2019

Emissions from aircraft have adverse effects on the air quality in and around airports, contributing to public health concerns within neighbouring communities. AVIATOR will adopt a multi-level measurement, modelling and assessment approach to develop an improved description and quantification of the relevant aircraft engine emissions, and their impact on air quality under different climatic conditions. Particulate and gaseous emissions in a test cell and on-wing from an in-service aircraft will be measured to determine pollutant plume evolution from the engine and APU exhaust. This will provide an enhanced understanding of primary emitted pollutants, specifically the nvPM and vPM (down to 10nm), and the scalability between the regulatory test cell and real environments. AVIATOR will develop and deploy a proof-of-concept low cost sensor network for monitoring UFP, PM and gaseous species across multiple airports and surrounding communities. Campaigns will be complemented by high-fidelity modelling of aircraft exhaust dynamics, microphysical and chemical processes within the plume. CFD, box, and airport air quality models will be applied, providing validated parameterisations of the relevant processes, applicable to standard dispersion modelling on the local scale. Working with the regulatory community, AVIATOR will develop improved guidance on measuring and modelling the impact of aircraft emissions, and will provide airports and regulators with tools and guidance to improve the assessment of air quality in and around airports.
Digital Transformation in Aeronautics through the ICARUS Aviation Data and Intelligence Marketplace
Authors: Lampathaki’ Fenareti , Sesana Michele , Alexandrou Dimitrios
Published: December 2019

Today, digital transformation has drifted all industries with its proven capacity to improve operations and boost revenues while building a value chain ecosystem. The aeronautics ecosystem is almost unanimously invested in some way into a digital transformation strategy in which data typically plays an instrumental role. However, despite the vast quantity of data across myriad parameters that never stop flowing across the aircraft-passengers-luggage-cargo journeys, the aviation-related stakeholders are still at a relative disadvantage in terms of data gathering and sharing, especially since the eternal questions of “who owns the aircraft” and “who owns the passenger” remain open. In this contact, the present paper focuses on the design and delivery of the ICARUS data and intelligence platform that aims to enable trusted and fair data sharing and insightful data analytics in an end-to-end secure manner. The methodology followed during the implementation of the ICARUS platform is defined, the aviation data value chain is elaborated, the ICARUS Minimum Viable Product is outlined and the theoretical foundations of the ICARUS data management and value enrichment methods are introduced, giving way to a brief reference to the ICARUS unique selling points and platform implementation.
How many RPAS can be safely integrated in non–segregated airspace?
Authors: Pérez–Castán Javier A. , Gómez Comendador Fernando , Rodriguez–Sanz Alvaro , Arnaldo Rosa M. , Torrecilla Jaime
Published: December 2019

The forthcoming integration of Remotely Piloted Aircraft System (RPAS) is one of the cmost omplex challenges for aviation. Europe draws to allow operating RPAS and conventional aircraft in non-segregated airspace by 2025, but this demanding perspective entails a thorough analysis of the different aspects involved. The RPAS integration in non-segregated airspace cannot imply an increase in the safety levels. This paper assesses how the RPAS integration affects safety levels. The goal is to regulate the number of RPAS that can jointly operate with conventional aircraft regarding conflict risk. This approach benchmarks a Calculated Level of Safety (CLS) with a Target Level of Safety (TLS). Monte Carlo (MC) simulations quantify the TLS based on schedules of conventional aircraft. Then, different combinations of conventional aircraft and RPAS provide different CLS. MC simulations are performed based on probabilistic distributions of aircraft performances, entry times and geographical distribution of aircraft. The safety levels are based on a conflict-risk model because the primary metrics are average number of conflicts and average conflict duration. The methodology is applied to one flight level of en-route airspace. The results provide restrictions to the number of RPAS that can jointly operate with conventional aircraft. Particularly, the TLS is quantified for four conventional aircraft and MC simulations provide the combinations of conventional aircraft and RPAS that fulfil the CLS. The same number of RPAS than conventional aircraft shows an increase over 90% average number of conflicts and 300% average conflict time.
Alcoolisation fœtale
Authors: Sautreuil Camille , Laquerrière Annie , Lecuyer Matthieu , Brasse-Lagnel Carole , Jégou Sylvie , Bekri Soumeya , Marcorelles Pascale , Gil Sophie , Marret Stéphane , Gonzalez Bruno J.
Published: December 2019

La consommation d’alcool au cours de la grossesse constitue une cause majeure de troubles du comportement et de handicap. Alors qu’il est possible pour un clinicien d’établir un diagnostic néonatal du syndrome d’alcoolisation fœtale, l’atteinte la plus sévère des troubles causés par l’alcoolisation fœtale (TCAF), une grande majorité des enfants échappe à un diagnostic précoce en raison de l’absence d’anomalies morphologiques évidentes. Plusieurs années de prise en charge sont alors perdues. Des avancées récentes ont permis d’établir l’existence d’un axe fonctionnel placenta-cerveau impliqué dans le contrôle de l’angiogenèse cérébrale, qui se trouve dérégulé chez les enfants exposés in utero à l’alcool. Une angiogenèse cérébrale normale étant un prérequis à l’établissement d’un neurodéveloppement correct, ces avancées ouvrent la voie à l’identification d’une nouvelle génération de biomarqueurs placentaires d’atteinte cérébrale pour le diagnostic précoce des enfants TCAF.
Vingt ans de consultations de génétique clinique sur site dans les hôpitaux de jour pour les personnes atteintes de troubles du spectre autistique de la région parisienne
Authors: Munnich Arnold , Demily Caroline , Frugère Lisa , Duwime Charlyne , Malan Valérie , Barcia Giulia , Vidal Céline , Throo Émeline , Besmond Claude , Hubert Laurence , Roland-Manuel Gilles , Malen Jean-Pierre , Ferreri Mélanie , Hanein Sylvain , Boddaert Nathalie , Assouline Moise
Published: December 2019

Malgré les avancées de la recherche, un grand nombre de patients atteints de troubles du spectre autistique (TSA) n’ont pas accès aux explorations aujourd’hui disponibles, du fait d’idées reçues, de l’insuffisance des structures à même de les explorer et de l’inadaptation des consultations hospitalières à leurs troubles du comportement. Pour améliorer l’accès aux soins et au progrès des connaissances, nous avons inversé le paradigme et offrons depuis 20 ans des consultations de génétique clinique sur site dans les hôpitaux de jour et les institutions spécialisées de la région parisienne. Depuis 1998, une équipe mobile de génétique médicale propose aux patients et à leurs familles des consultations dans leur environnement habituel. L’unité mobile opère sous l’égide de l’hôpital universitaire Necker Enfants-Malades, qui leur donne accès aux services de biochimie, de cytogénétique moléculaire et de séquençage de nouvelle génération (NGS). En vingt ans, 502 patients appartenant à 26 institutions ont bénéficié de consultations sur site et d’un accès aux plateformes de génétique moléculaire. Moins de 1 % des parents ont décliné la proposition. Des affections génétiques ont été identifiées chez 71 patients présentant un TSA : anomalies cytogénétiques causales (34/388 : 8,8 % ; de novo : 19, héritées : 4), X Fragile (4/312 : 1,3 %) et mutations monogéniques reconnues responsables de TSA (33/141 ; 23,4 % : de novo : 23 ; héritées : 10, dont 5 liées à l’X et 5 récessives autosomiques). L’IRM cérébrale a été possible chez 347 patients et considérée comme anormale chez 42 % d’entre eux (146/347). Tous les patients diagnostiqués présentaient un TSA atypique ou syndromique, avec déficience intellectuelle modérée à sévère. Grâce à ce mode d’intervention, un grand nombre de consultations manquantes ont été rattrapées et les familles ont pu bénéficier d’une consultation de génétique. Eu égard aux contraintes imposées par les troubles du comportement dans les TSA, les consultations sur site constituent, pour les patients et leurs apparentés, un moyen d’améliorer l’accès aux soins et de réduire le risque de méconnaissance d’une pathologie organique à présentation psychiatrique.
Hormone de croissance chez les enfants de petite taille ?
Authors: Murano Maria Cristina
Published: December 2019

Un consensus général existe pour traiter les enfants de petite taille par l’hormone de croissance (GH) dans le cas où ceux-ci présentent une maladie dont l’un des symptômes est la petite taille. Néanmoins, la petite taille idiopathique (c’est-à-dire la petite taille qui n’a pas de cause médicale connue) demeure un diagnostic controversé. En proposant une relecture critique des normes socio-culturelles négatives liées à la petite taille, cet article appelle à donner plus d’importance à la parole des enfants concernés et à mettre l’accent, dans le débat éthique sur l’hormone de croissance, sur les meilleures façons d’associer les enfants à la prise de décisions sur le traitement.
Naturwissenschaft als Naturpoesie: Eine Stellungnahme Christoph Wilhelm Hufelands (1762–1832) gegen die naturphilosophische Medizin
Authors: Hansen Werner
Published: December 2019

At the turn to the 19th century, medicine in Germany became strongly influenced by the teachings of John Brown, who was a scottish physician. He had advocated a theory which regards and treats disorders as caused by defective or excessive excitation. His teachings were welcomed by natural philosophers like Schelling or Hegel. They modified it and integrated it into their systems of thinking. On the other hand Hufeland, who was one of the foremost physicians at that time, heavily opposed Brunonian System. This becomes evident in a fragmentary text that had been found only recently. In it he criticizes that these teachings were based on pure speculation and not on sound science as executed by Albrecht von Haller. It was meant ironically when he concluded that it thus resembled natural poetry. As viewed from today, evidence based medicine eventually established our modern ways for successfully diagnosing and treating disease. However, Hufelands disapproval appears to be still relevant. There are many people that even now advocate alternative ways and who consult quacks, healers etc.
„Die Medizin ist eine soziale Wissenschaft“ – zum 200. Geburtstag von Salomon Neumann
Authors: Kuntz Benjamin , Regneri Günter , Berghöfer Anne , Schmiedebach Heinz-Peter , Beddies Thomas
Published: December 2019

Salomon Neumann (1819–1908) is one of the outstanding representatives of 19th century social medicine. As a medical reformer, statistician and city councilor, he made a significant contribution to improving social and hygienic conditions in Berlin. His most famous work was published in 1847 under the title “Die oeffentliche Gesundheitspflege und das Eigenthum” [Public Health and Property]. From 1859 to 1905, Neumann was active in the Berlin City Council for the improvement of the living conditions of the population. He was involved in the construction of municipal hospitals, supported the modernisation of sewage disposal, organised the Berlin censuses of 1861 and 1864 and was active in the field of health and social statistics. Not only was Neumann exposed to anti-Semitic reprisals during his lifetime, a foundation he founded to promote the science of Judaism was dissolved by the National Socialists in 1940. On the occasion of his 200th birthday, this article commemorates the life and work of the democratically minded and socially committed doctor and health politician. Salomon Neumann has rendered great services to social medicine in Germany.
Balthasar Neumann und seine Krankheit
Authors: Sauerbruch Tilman , Satzinger Georg
Published: December 2019

On August 26 in 1753, Balthasar Neumann’s wife wrote a letter to the Abbot of Neresheim describing her husband’s disease one week after his death. This article outlines Neumann’s medical history and builds connections towards the understanding of diseases in these times. As an example – and probably Neumann’s ailment – the gastric cerarcinoma is discussed with special attention in this report.
Gut gegen Weihnachtsstimmung – Kulturwissenschaftliche Lesarten eines Festes
Authors: Ahner Helen
Published: December 2019

Christmas is a celebration with a strong social radiance. It is a vehicle for political positions and debates and thus shows itself to be a controversial cosmos of significance. A cosmos with history that is not as old as is often claimed – the origin of the festival as we know it today lies in the 19th century. Since then, Christmas has developed into a global festival in which many different people take part. But Christmas is not only unifying, it is also exclusive and creates cultural differences. The aim of the text is to look at the festival in its historical genesis and to critically illuminate Christmas as an ambivalent social phenomenon.
Eine explorative Studie zu den schulischen Verlaufswegen nach einem
mittelschweren bis schweren Schädel-Hirn-Trauma
Authors: Hennig Birgit , Gebhard Britta , Hinrichs Richard , Reutlinger Constanze
Published: December 2019

Ziel der Studie Empirische Daten zu schulischen Verlaufswegen nach einem
Schädel-Hirn-Trauma (SHT) sind rar und veraltet. Es ist wenig
über den Erfolg der Umsetzung initialer Empfehlungen und die weitere
Schullaufbahn nach einem SHT bekannt. In dieser Studie werden
Schulverlaufsbahnen nach einem mittelschweren bis schweren SHT untersucht.
Insbesondere soll, ausgehend von den Schulempfehlungen zum Ende der
stationären Rehabilitation, die Linearität oder
Nichtlinearität von Verläufen und der langfristige Erfolg im
Bildungssystem nachvollzogen werden.

Methodik Die Stichprobe umfasst 49 Schüler. Es wurden klinische
Daten aus einer Rehabilitationsklinik sowie die in den Akten enthaltenen
Schulempfehlungen zum Ende der stationären Rehabilitation analysiert.
Zudem wurden Standardisierte Fragebögen zur Evaluation 2–9 Jahre
nach schulischer Wiedereingliederung ausgewertet. Die Auswertung wurde mittels
deskriptiver Statistik mittels Stata 15.1 vorgenommen.

Ergebnisse 59,2% der Befragten kehrten unmittelbar nach
Entlassung zurück in ihre alte Klasse. 24,5% wechselten initial
die Bildungseinrichtung. Bei mehr als 50% der Betroffenen ergab sich
durch Wechsel und Brüche in Folge des SHT eine Nichtlinearität
in der Schullaufbahn.

Schlussfolgerung Die Ergebnisse werden im Hinblick auf
Diskontinuitäten im Schulverlauf diskutiert. Die Studie
bestätigt ein hohes Ausmaß von Brüchen und
Nichtlinearität im Schulverlauf nach einem mittelschweren bis schweren
SHT. Empfehlungen der Rehaklinik erscheinen hilfreich, sie sind aber kein Garant
für eine hindernisfreie Rückschulung. Eine professionelle
Begleitung im Prozess der schulischen Re-Habilitation wird empfohlen. Die Studie
belegt den Bedarf einer professionellen, standardisierten, systemisch
orientierten und individualisierten Nachsorge im jeweiligen Schulkontext.
Weitere empirische Studien zum schulischen Reintegrationsprozess nach einem SHT
werden benötigt, um unter anderem die Faktoren zu identifizieren, welche
das Risiko von Brüchen im Schulverlauf erhöhen, die Passung im
Schulverlauf verhindern oder zu einer gelungenen Passung im Schulverlauf
beitragen. Ergänzend wäre es sinnvoll, Zusammenhänge
zwischen Versicherungsträger, Umfang und Art der Unterstützung
nach der stationären Rehabilitation sowie Schulverlauf zu
analysieren.
Therapie der Extremitätenarterienaneurysmen – Dual Supera bei Popliteaaneurysma: Sofort- und Langzeitergebnisse
Authors: Tessarek Jörg
Published: December 2019

Popliteaaneurysmen zeigen die höchste Inzidenz peripherer Aneurysmen. Hierbei steht klinisch nicht die Ruptur, sondern die chronische Embolisation mit Ausbildung einer irreversiblen Ischämie und der damit assoziierten Amputation und Mortalität im Vordergrund. Mittlerweile ist die endovaskuläre Therapie als Alternative zum offen chirurgischen Vorgehen basierend auf verlässlichen Daten etabliert. Das im zerebralen Segment seit Langem angewandte, aber für die Gefäßperipherie wenig beachtete Prinzip der flussmodulierenden Stentsysteme zeigt auch im femoropoplitealen Gefäßsegment vielversprechende Ergebnisse und stellt den Grundsatz der kompletten endovaskulären Ausschaltung durch gecoverte Stents oder die Bypassumgehung des Aneurysmas infrage. Seit 2011 wurden 34 von 142 elektiven und 8 thrombosierte Popliteaaneurysmen mit einem für den Einsatz im arteriellen System zugelassenen gewobenen Nitinol-Stent versorgt und nachbeobachtet. In der hier beschriebenen monozentrischen
Serie mit mittel- bis langfristiger Nachbeobachtung zeigte sich das Verfahren hinsichtlich der Aneurysmaausschaltung, der Offenheitsrate, der Materialermüdung und des Erhalts der Ausstrombahn mit der Option der Konversion mit den gängigen Methoden vergleichbar. Die Limitierung der Methode ist durch die maximalen Stentdurchmesser von 7,5 mm bedingt.
Vestibular Disorders: Pearls and Pitfalls
Authors: Choi Woo Young , Gold Daniel R.
Published: December 2019

Dizziness and vertigo are symptoms that commonly lead patients to seek neurologic or emergency care. Because symptoms are often vague and imprecise, a systematic approach is essential. By categorizing vestibular disorders based on the timing, triggers, and duration of symptoms, as well as emphasizing focused ocular motor and vestibular examinations, the majority of vestibular diagnoses can be made at the bedside. This paper will discuss the pearls and pitfalls in the history and examination of the most common acute, episodic, and chronic vestibular disorders.
Emerging Treatments for Leber's Hereditary Optic Neuropathy and Other Genetic Causes of Visual Loss
Authors: Bakaeva Tatiana , Mallery Robert , Prasad Sashank
Published: December 2019

Leber's hereditary optic neuropathy (LHON) and other genetic causes of visual loss are important clinical entities that can cause profound visual loss. To date, therapeutic options have been quite limited, but insights into the genetic basis of these diseases and advances in the ability to deliver effective and safe gene therapy have opened the door for new therapeutics that may revolutionize the approach to treating these conditions. This article reviews emerging gene therapies of LHON and other inherited ophthalmological diseases, addressing the technical, clinical, and ethical challenges that researchers and clinicians will encounter as new treatments become available for these conditions.
Análisis y Plan Quirúrgico de Deformidades en Tobillo y Retropié del Adulto
Authors: López Morales Mario , Wagner Hitschfeld Pablo
Published: December 2019

La corrección de deformidades en extremidades inferiores del adulto sigue siendo un capítulo desafiante en ortopedia y traumatología. El conocimiento del alineamiento normal de las extremidades inferiores y su comportamiento son fundamentales para una adecuada planificación quirúrgica y éxito del tratamiento, especialmente en tobillo y retropié. El objetivo de esta revisión, es conocer los principios fundamentales de la corrección de deformidades, orientar en que factores fijarse al momento de corregir y poder dar una guía de cómo planificar la cirugía, particularmente en deformidades de tobillo y retropié.

Nivel de evidencia: Nivel V.
Intra-Arterial Embolization as a Treatment Option in a Case of GAVE Syndrome
Authors: Singhal Soumil , Uthappa Mangerira C.
Published: December 2019

Gastric antral vascular ectasia (GAVE) syndrome is a rare condition affecting the stomach. It is associated with upper gastrointestinal bleeding. The exact pathogenesis of the condition is poorly understood. Watermelon stomach is synonymous with GAVE syndrome due to its endoscopic appearance. Here we report a unique experience of performing an intra-arterial embolization in a case of GAVE presenting with uncontrolled bleeding.
Supersymmetric Euler equations associated to the N ≤ 3 Neveu-Schwarz algebra
Authors: Zuo Dafeng
Published: December 2019

We give a systematic study about supersymmetric Euler equations on the smooth dual NSreg*(N) of the Neveu-Schwarz algebra NS(N) for N ≤ 3. Let A be the inertia operator and c1,c2∈R, we will show that the N = 2 supersymmetric Euler equation with A=c1+c2D2 is local bi-super-Hamiltonian with the freezing point (c1,c2)∈NSreg*(2), which is similar to that of the Virasoro algebra NS(0), and the N = 3 supersymmetric Euler equation with A=c2D3∂−1 is local bi-super-Hamiltonian with the freezing point (0,c2)∈NSreg*(3), which is similar to that of the N = 1 Neveu-Schwarz algebra NS(1).
Thermally induced phase switching in mechanically biased single crystal relaxors
Authors: Young S. , Staruch M. , Patterson E. A. , Caruso A. N. , Lofland S. E. , Finkel P.
Published: December 2019

In this work, we examine the time-dependent piezoelectric response of [011] poled rhombohedral [Pb(In1/2Nb1/2)O3]0.24[Pb(Mg1/3Nb2/3)O3]0.44[PbTiO3]0.32 single crystals under variable thermal loading. We find that thermal radiation incident on a piezoelectric crystal held under mechanical compressive bias stress generates an abrupt jump in strain with a rise time <1 ms, much faster than the bulk thermal time scale. This discontinuity is associated with a weak first-order ferroelectric–ferroelectric structural phase transition as confirmed by in situ X-ray diffraction results. We demonstrate that this transition can be cycled repeatedly with low thermal hysteresis (<3 °C) under zero applied electric field with a sizable reversible strain jump of ∼0.12%. Moreover, we show that the thermally driven phase switching behavior can be tuned by varying the bias stress and/or electric field, establishing effective control parameters and conditions for future applications such as actuators, thermally controlled transducers, and sensors.
Plasmon-induced efficient hot carrier generation in graphene on gold ultrathin film with periodic array of holes: Ultrafast pump-probe spectroscopy
Authors: Prakash Gyan , Srivastava Rajesh Kumar , Gupta Satyendra Nath , Sood A. K.
Published: December 2019

Using ultrafast pump-probe reflectivity with a 3.1 eV pump and coherent white light probe (1.1–2.6 eV), we show that graphene on gold nanostructures exhibits a strong coupling to the plasmonic resonances of the ordered lattice hole array, thus injecting a high density of hot carriers in graphene through plasmons. The system being studied is single-layer graphene on an ultrathin film of gold with periodic arrangements of holes showing anomalous transmission. A comparison is made with gold film with and without hole array. By selectively probing transient carrier dynamics in the spectral regions corresponding to plasmonic resonances, we show efficient plasmon induced hot carrier generation in graphene. We also show that due to high electromagnetic field intensities at the edge of the submicron holes, fast decay time (10–100 fs), and short decay length (1 nm) of plasmons, a highly confined density of hot carriers (very close to the edge of the holes) is generated by Landau damping of plasmons within the holey gold film. A contribution to transient decay dynamics due to the diffusion of the initial nonuniform distribution of hot carriers away from the hole edges is observed. Our results are important for future applications of novel hot carrier device concepts where hot carriers with tunable energy can be generated in different graphene regions connected seamlessly.
Electrical-impedance-tomography imaging based on a new three-dimensional thorax model for assessing the extent of lung injury
Authors: Li Xiuyan , Chen Xiaojing , Wang Qi , Wang Jianming , Duan Xiaojie , Sun Yukuan , Wang Huaxiang
Published: December 2019

Electrical impedance tomography (EIT) is a technique that calculates the distribution of electrical impedance of a living body by measuring the surface voltage of the living body, which is available for continuous monitoring of the lung function to reduce the risk of intensive lung injury. The global inhomogeneity index (GI) is employed to assess the degree of ventilation homogeneity at different levels of lung injury. The GI values calculated in the current research are all based on two-dimensional EIT reconstruction images; however, this method does not correctly detect low levels of lung injury. In this paper, we establish a true 3D thorax model and propose a method for calculating the GI based on 3D EIT reconstruction images to evaluate lung injury. Simulations reveal that this method can accurately reflect the disease state of lung injury compared with the 2D GI calculation method, and even mild damage of lung injury can be adequately detected.
Eu2+: A suitable substituent for Pb2+ in CsPbX3 perovskite nanocrystals?
Authors: Alam Firoz , Wegner K. David , Pouget Stephanie , Amidani Lucia , Kvashnina Kristina , Aldakov Dmitry , Reiss Peter
Published: December 2019

Eu2+ is used to replace toxic Pb2+ in metal halide perovskite nanocrystals (NCs). The synthesis implies injection of cesium oleate into a solution of europium (ii) bromide at an experimentally determined optimum temperature of 130 °C and a reaction time of 60 s. Structural analysis indicates the formation of spherical CsEuBr3 nanoparticles with a mean size of 43 ± 7 nm. Using EuI2 instead of EuBr2 leads to the formation of 18-nm CsI nanoparticles, while EuCl2 does not show any reaction with cesium oleate forming 80-nm EuCl2 nanoparticles. The obtained CsEuBr3 NCs exhibit bright blue emission at 413 nm (FWHM 30 nm) with a room temperature photoluminescence quantum yield of 39%. The emission originates from the Laporte-allowed 4f7–4f65d1 transition of Eu2+ and shows a PL decay time of 263 ns. The long-term stability of the optical properties is observed, making inorganic lead-free CsEuBr3 NCs promising deep blue emitters for optoelectronics.
Magnetic exchange interactions and band gap bowing in NixMg1−xO (0.0 ≤ x ≤ 1.0): A GGA+U density functional study
Authors: Ghosh Sayandeep , Jena Suchit Kumar , Mishra Pankaj Kumar , Seehra Mohindar S. , Thota Subhash
Published: December 2019

We report variations in magnetic exchange interactions and energy bandgap of the NixMg1−xO (0.0≤x≤1.0) system with a change in x using the first principle density functional theory calculations employing the generalized gradient approximation + Coulomb interaction approach. We consider large supercell fcc structures (2×2×2) for different Ni molar fractions (x). Our results demonstrate that the type-II antiferromagnetic ordering is energetically more favorable for all the compositions, which exhibits a small local moment (about 2μB) due to high-spin divalent Ni. The nearest neighbor (NN) and the next nearest neighbor (NNN) exchange interactions J1 and J2, respectively, are evaluated by considering different Hund's coupling parameters (0≤J≤4) for a constant Columbic interaction (U=6.3eV). Below a critical composition, xC<0.25, NN interaction dominates over NNN resulting in |J2J1|<1 and for moderate compositions (0.25≤x≤0.75), J2 decides the global magnetic ordering of NixMg1−xO, making the system strongly antiferromagnetic for |J2J1|>1. For a higher concentration (x>0.75), the ratio (|J2J1|) remains constant suggesting that both J1 and J2 play important roles. For x=1, calculated values of J1(=1.52meV) and J2(=−17.14meV) are consistent with the experimental results (J1=1.4meV and J2=−19.1meV) obtained from spin-wave dispersion measurements. Our calculations and analysis of the electronic structure reveal the evidence for energy bandgap (Eg) bowing in NixMg1−xO with two different charge transfer transitions: (i) O−2p→Ni−4s/Mg−3s (Eg↓) and (ii) O−2p→Ni−3d−eg states (Eg↑). For x>xc, additional O−2p states are generated near the Fermi level in the valence band (∼−0.87eV), which contributes to the bowing of Eg.
Analytic non-adiabatic derivative coupling terms for spin-orbit MRCI wavefunctions. I. Formalism
Authors: Belcher Lachlan T. , Kedziora Gary S. , Weeks David E.
Published: December 2019

Analytic gradients of electronic eigenvalues require one calculation per nuclear geometry, compared to at least 3n + 1 calculations for finite difference methods, where n is the number of nuclei. Analytic nonadiabatic derivative coupling terms (DCTs), which are calculated in a similar fashion, are used to remove nondiagonal contributions to the kinetic energy operator, leading to more accurate nuclear dynamics calculations than those that employ the Born-Oppenheimer approximation, i.e., that assume off-diagonal contributions are zero. The current methods and underpinnings for calculating both of these quantities, gradients and DCTs, for the State-Averaged MultiReference Configuration Interaction with Singles and Doubles (MRCI-SD) wavefunctions in COLUMBUS are reviewed. Before this work, these methods were not available for wavefunctions of a relativistic MRCI-SD Hamiltonian. Calculation of these terms is critical in successfully modeling the dynamics of systems that depend on transitions between potential energy surfaces split by the spin-orbit operator, such as diode-pumped alkali lasers. A formalism for calculating the transition density matrices and analytic derivative coupling terms for such systems is presented.
Visualizing the impact of chloride addition on the microscopic carrier dynamics of MAPbI3 thin films using femtosecond transient absorption microscopy
Authors: Yu Jin , Li Zhongguo , Kolodziej Charles , Kuyuldar Seher , Warren Warren S. , Burda Clemens , Fischer Martin C.
Published: December 2019

The spatial heterogeneity of carrier dynamics in mixed halide perovskite CH3NH3PbI3−xClx thin films with a range of different chloride additions is mapped using femtosecond transient absorption microscopy (TAM). The comparison of TAM images of fibrous and granular polycrystalline CH3NH3PbI3−xClx films indicates that the impact of chloride addition on the local heterogeneity of carrier dynamics is highly dependent on the film preparation method and the resulting morphology. In addition to signals of pristine CH3NH3PbI3, CH3NH3PbI3−xClx films with a fibrous structure show long-lived excited state absorption (ESA) signals in localized, microscopic regions. The ESA signal exhibits transient absorption with a rise time of about 5 ps after the excitation pulse, indicating that these distinct micrograins have preferential carrier trapping properties. The chemical composition of these micrograins does not differ detectably from their surroundings. In contrast, in CH3NH3PbI3−xClx films with a granular structure, Cl addition does not seem to affect the charge carrier dynamics. These results provide insight into the localized effects of halide mixing and on the resulting photophysical properties of mixed halide perovskite materials on the micrometer length scale.
Estimation of WHAM7 constants for GaIII, InIII, SbIII and BiIII from linear free energy relationships, and speciation calculations for natural waters
Authors: Tipping Edward , Filella Montserrat
Published: December 2019

Environmental contextNatural organic matter exerts a powerful control on chemical conditions in waters and soils, affecting pH and influencing the biological availability, transport and retention of metals. Modelling can help to predict these effects, but for many metals, model parameters are missing. We report parameters for four technology-critical elements in a chemical speciation model, and consider the chemistries of the elements in natural waters.
AbstractWe compiled the equilibrium constants for the interactions of the technology-critical elements (TCEs) GaIII, InIII, SbIII and BiIII with ammonia, fluoride, hydroxyl and ligands with oxygen atoms. We then combined them with predictive equations to estimate parameters for Humic Ion-Binding Model VII, which permits the calculation of metal binding by natural organic matter (fulvic acid, FA, and humic acid, HA). Derived values of the Model VII parameter quantifying the interaction of metal ions with carboxyl-type groups (log KMA) were among the highest estimated so far, as were the values for the parameter (ΔLK2) that quantifies the tendency of the metal ion to interact with softer ligand atoms (N and S). The Windermere Humic Aqueous Model, version 7 (WHAM7), which incorporates Model VII, was then used to estimate the chemical speciation of each TCE element.
Optimizing Brownian escape rates by potential shaping
Authors: Chupeau Marie , Gladrow Jannes , Chepelianskii Alexei , Keyser Ulrich F. , Trizac Emmanuel
Published: December 2019

Significance

Diffusion is of fundamental relevance in physics, chemistry, and biology, to explain the transport of macromolecules in a solvent, under the action of external forces. Diffusion is fueled by temperature, resulting in thermal fluctuations. Macromolecules trapped in a potential energy well can then escape, harnessing favorable fluctuations. Such events are a priori rare nevertheless, and the so-called Arrhenius relation describes the corresponding exponential decrease of escape rates with increasing barrier heights. It therefore comes as a surprise that some potential wells, with high barriers, may help the macromolecule escape. We report experimental proof of this counterintuitive boosting effect. Optimizing theoretically the potential profile that provides maximum boost, we translate our predictions into results in automated microfluidic experiments.
Fluorescein isothiocyanate and blue light irradiation alter cell-adhesiveness of cross-linked albumin films for cell patterning
Authors: Tachibana Akira , Iida Atsuko , Tanabe Toshizumi
Published: December 2019

Cross-linked albumin films, which are non-cell adhesive, were altered to be cell-adhesive by the combination of varied concentrations of fluorescein isothiocyanate and blue light irradiation. In this system, cell patterning was developed with two different cell lines by sequential seeding.

Abbreviations: BSA: bovine serum albumin; EGDE: ethylene glycol diglycidyl ether; PBS: Dulbecco’s phosphate buffered saline
Study on Arrangement of Waterlogging Control Storage Tank in City Village
Authors: Qiankun Wei , Hua Wang , Pengfei Huang , Wei Xu , Jinyang Liu
Published: December 2019

In recent years, the problem of waterlogging in Chinese cities has become increasingly serious, and it is extremely urgent to solve the problem of waterlogging. Urban rainwater storage plays an important role in the prevention and control of waterlogging disasters. The control effect of the internal control of the storage tank is closely related to its layout position. On the basis of comprehensive consideration of the hydrological mechanism for reducing rainwater floods and the requirements for urban flood control, the Huangbian City Village of Panyu District, Guangzhou City was taken as an example to construct a one-dimensional, two-dimensional, pipe network coupled hydrological hydrodynamic model to study urban locusts and the optimal arrangement of the storage tank. The results show that compared with the centralized storage tank is arranged at the lower section of the pipe network bottleneck section and waterlogging point, arranging the storage tank in the upper section of the bottle neck section and the upstream of waterlogging point can not only significantly reduce the drainage pressure of the pipe network, reduce the flood area of waterlogging, but also reduce the storage capacity of a single storage tank and improve the feasibility of engineering construction. The arrangement method can effectively realize the storage function of the storage tank.
Contract Realization of Risk Allocation Plan for PPP Municipal Infrastructure Projects in China: A Case Study
Authors: Qin Yuge , Ding Xin , Chen Chuan
Published: December 2019

As is well-known, risk allocation played a key role in the process of risk management of PPP municipal infrastructure projects. In China, thousands of PPP projects are initiated by all levels of local governments. However, it is not known whether the risk allocation plan came true in contract. How to identify risk factors, methods of risk allocation and risk response measures were payed attention by current researchers in PPP risk area. But there were few students focusing the question about contract realization of risk allocation plan, especially in Chinese municipal infrastructure projects. Based on case study method, this paper proposed that most of the risks which allocated in execute plan are actually implemented in the contract, but not all. This research can militate positive impacts for the risk allocation and contract signing process, so as to enhance the effect of risk allocation and improve the value for money of Chinese PPP municipal infrastructure projects.
Research on Utilization Risk of Reservoir Flood Resource
Authors: Ren Liang , Xu Wensheng , Huang Jinquan , Xie Hao
Published: December 2019

Flood resource utilization risk is a kind of speculative risk with hazard but higher rate of return. It includes flood control operation risk, structural risk and ecological environment risk. The research should contain efficiency and associated risk assessment from multiple perspectives. Appropriate risk management decision-making model and evaluation system should be established. In the paper, it takes the flood resources utilization of the referred reservoir as an example. Firstly, the paper has a comprehensive evaluation using a combination of multi-factor risk assessment methods under assumptions. Secondly, the paper calculates and analyses the degree of risk of dynamic control flood water level.
Analysis of Spatial-temporal Distribution Characteristics of Precipitation in Shandong Province from 1961 to 2017
Authors: Mengmeng Ma , Baoxiang Zhang
Published: December 2019

According to the precipitation data of Shandong Province, the trend of precipitation change in Shandong Province was firstly analyzed through the climate trend rate, and then the abrupt change point of precipitation was detected by the Mann-Kendall test, sliding t test and other methods, and the periodic features were extracted by wavelet analysis. The spatial characteristics of precipitation are analyzed by kriging interpolation method in ArcGIS. The results showed that the interannual precipitation in Shandong Province decreased in summer and autumn, and increased slightly in spring and winter. Through multiple methods, we have identified the interannual, seasonal abrupt points. Then, we found the first, second and third periods of interannual precipitation. In terms of space, the annual precipitation gradually decreases from the southeast coast to the northwest inland; the annual precipitation in each region of Shandong Province is basically reduced to a different extent, and the southeast coastal region has a larger reduction than the northwest inland region.
Ensemble of bagged regression trees for concrete dam deformation predicting
Authors: Xie Jiemin , Zhang Jun , Xie Xuan , Bi Zhiwei , Li Zhuoheng
Published: December 2019

Tree based ensemble learning algorithms involve generating multiple trees that together produce a consistent prediction and often significantly improving the accuracy of the prediction. In this paper, the technique is further explored, and a dam displacement prediction model based on bootstrap aggregating (bagged) regression trees (BART) is proposed. The case study of concrete dam indicates that the performance of bagged regression trees is better than the conventional regression tree (RT) model in predicting dam displacement. Moreover, the model can also analyze the importance of each variable, which has strong practical value.
Design strategies of the urban public space in the Franco-Chinese metropolitan cities of Paris and Dalian
Authors: Gao Zengrong
Published: December 2019

The purpose of this research is based on the placement of two geographically opposed cities, but with similarities in their urban structure, Dalian and Paris. We study here the design strategies involved in the emergence of contemporary urban public spaces, in the metropolitan context, and in a globalized context of urban identity research. First, we compare the status of public space in the two different cultural and urban contexts of China and Europe. Then, we enter in the analysis of examples of two main elements of urban composition: the public square and the metropolitan axis. By the first, we put our analysis on the example of Zhongshan Square, a singular but not unique case in the Chinese city the most provided in places that is Dalian. Then, concerning the metropolitan axis, we focus our study on the Champs-Élysées, allowing us to reveal the great axis of Dalian constituted by the succession of broad streets between Qingniwa and the Donggang Center. We conclude our study of the Parisian examples of the Beaubourg plateau and Les Halles, which show both perspectives and models of conceptions of public spaces that follow and bring urban progress, in our contemporary and globalized cultural and historical context.
Development Direction of Building Technology Under Rural Revitalization
Authors: Peng Wenfei , Xie Chaoyu
Published: December 2019

In the context of rural revitalization, how to further develop construction technology to adapt to the needs of rural construction has become the spotlight. This paper analyzes from the aspects of the illumination of the rural culture and rural spirit by construction technology, the integration of modern technology and traditional technology, and the promotion of construction technology, etc. to figure out the development direction of construction technology.
Design of the dewatering project of pit with pensile curtains in the floodplain area near Yangtze River
Authors: Junhua Gao , Yisheng Wang , Yongbo Li , Shizheng Cui , Chong Xu , Xiangdong Song
Published: December 2019

The sand layer of the floodplain area near Yangtze River is thick and rich in water content. It is difficult to cut off the groundwater hydraulic connection inside and outside the pit with anti-water curtain. Hence, it is necessary to determine the depth of the pensile curtains rationally and economically. The three-dimensional motion model of groundwater can effectively simulate the dewatering and provide a basis for the selection of the depth of the pensile curtains. Reasonable dewatering-recharge arrangement is cost-saving and time-saving. Its good economic and social benefits demonstrate the feasibility in follow-up construction.
The Flood Forecasting Scheme of Pudu River Leading Power Station
Authors: Wen Weichao , Jiang Rucheng , Gu Shixiang
Published: December 2019

Pudu River is the largest tributary of the Jinsha River Basin in Yunnan Province, with a runoff area of approximately 11700 km2. The upstream is Dianchi Lake, and the flood forecasting has been less studied in Yunnan Province. The purpose of this paper is to do some flood forecasting research for downstream lead plant power stations based on the data conditions and relevant theories. According to the conventional flow algorithm, corresponding water level method and synthetic flow method, the flood of the downstream lead plant power station is forecasted, and the prediction accuracy of each method is evaluated. After analysis, the flow algorithm is not suitable for forecasting the flood of the lead plant, and the accuracy of the synthetic flow law is not high. Finally, the corresponding water level method is selected as the forecast method suitable for the local river section.
Research of Equilibration on Water Resources utilization in Yunnan plateau by Gini Coefficient
Authors: Haowen Gu , Fei Wang , Xiao Yang , Shixiang Gu , Pingsen Ma , Youyang Li
Published: December 2019

Based on the investigated data from 2000 to 2015 that related to water resources utilization in 103 units about Water Resources Fourth Sub-Region divided by Drainage Basin overlying Prefecture (abbr. WRFSRDBP) in Yunnan Province that belongs to Yunnan – Guizhou plateau, Gini coefficient, Theil coefficient and Variation coefficient were adopt to evaluated equilibration on water resources utilization of the whole province. The results shows that the Gini coefficients about water resources utilization in the province was 0.105∼ 0.763, the average value was 0.544. Water supply quantity of reservoirs and ponds increased 3.033×109 m3 in recent 15 years, resulted in the Gini coefficient decreased from 0.327 to 0.256, namely the equilibration changed better; While the Gini coefficient of water supply quantity of projects by gravity channel, pump and trans-valley increased from 0.209 to 0.266, as new reservoir was built across river upstream, thus water supply amount was transferred to water supply amount of reservoir; Water supply by wells, rain collection and wastewater reused projects in different units changed various, the Gini coefficient of water supply by wells were 0.584∼0.614, and rain collection and wastewater reused projects were 0.611∼0.641 in the last 15 years, respectively. Non-cigarette industry developed rapidly, due to the restriction policy of state’s tobacco cultivate and cigarette plant, which promoted industrial structure changed from 2000. Those was the reason that the Gini coefficient of industrial water usages decreased from 0.542 to 0.329; Synchronously, the Gini coefficient of municipal water usage also decreased from 0.463 to 0.321, and the equilibration changed better too; On the other hand, the extent of water utilization different about livelihood and livestock in countryside was broaden, the Gini coefficient increased from 0.100 to 0.321; In recent 15 years, provincial irrigated rate of Yunnan was raised from 21.8% to 29.1%, the gap among sub-regions on agriculture irrigation development was reduced gradually, the Gini coefficient of irrigated water consumption decreased from 0.294 to 0.153 consequently. Ulteriorly, local entropy spatial distribution in the sub-regions revealed degree of importance of its water supply and water usage in the province. Besides, research by Theil coefficient and Variation coefficient also proved the same results.
Exploring eco-friendly travel towards sustainable water transport in Bangkok
Authors: Iamtrakul P , Wongbumru T
Published: December 2019

While traffic congestion issues has not be solved in Bangkok, Thailand, an intervention in order to improve air quality and reduce greenhouse gas emissions is required for sustaining the continuation of this urban problematic. Greening mobility in term of “Eco- Friendly Travel” is therefore the ultimate transport challenge towards sustainability that will significantly reduce greenhouse gas emissions of existing unsolved land transport. Facing this global sustainability challenge arises the need to adopt an environmental friendly mobility culture by using participatory approach to integrate with technologies and fuel options for water transport system. This study was conducted based on a concise analysis of the current geography of canal network in Bangkok along with an introduction of “canal transit” to ask respondent of 1,200 sets from residents around the Lat Phrao canal which is one of the most potential canal in Bangkok. The results revealed its feasible option for local transport in terms of urban connectivity improvement and community-owned resources. However, it needs various improvements such as accessibility, transit services, urban activities spaces, and community activities and value-added transportation services which would be the keys to success to increase local economic competencies and sustaining water transport in Bangkok.