Molecular dynamics simulations of the dipolar-induced formation of magnetic nanochains and nanorings

Iron, cobalt and nickel nanoparticles, grown in the gas phase, are known to arrange in chains and bracelet-like rings due to the long-range dipolar interaction between the ferromagnetic (or super-paramagnetic) particles. We investigate the dynamics and thermodynamics of such magnetic dipolar nanoparticles for low densities using molecular dynamics simulations and analyze the influence of temperature and external magnetic fields on two- and three-dimensional systems. The obtained phase diagrams can be understood by using simple energetic arguments.Comment: 6 pages, 6 figure

Short term effects of irradiance on the growth of Pterocladiella capillacea (Gelidiales, Rhodophyta)

Pterocladiella capillacea has been economically exploited for agar extraction in the Azores for many years. Harvesting dropped to a full stop in the early 1990s due to a population collapse, but restarted in 2013. Since then it has been intensively harvested and overexploitation must be prevented, with both sustainable harvesting and effective cultivation practices. This study represents the first attempt to determine optimal conditions for P. capillacea production in the Azores, and evaluates its vegetative growth in two experiments using von Stosch’s medium designed to test entire thallus and tips portions response to different irradiances (30, 70 and 150 μmol photons m¯² s¯¹). The best relative growth rate (RGR) was recorded at 150 μmol photons m¯² s¯¹ for the entire thalli and tips after two-weeks and three-weeks, respectively, indicating that an acclimation period is necessary to assure the growth of this alga under experimental conditions. Higher RGR was obtained at higher irradiance (3.98 ± 2.10% fm day¯¹), but overall, growth rates were low or negative. Epiphytes were a serious problem towards the end of the entire thallus experiments, where Feldmannia irregularis proliferate at all irradiances. Future cultivation approaches complemented with other relevant environmental factors (e.g. pH, photoperiod, salinity), are recommended.FCT – Fundação para a Ciência e Tecnologia projects UID/BIA/00329/2013, 2015 - 2018 and UID/BIA/00329/2019, CIRN (Centro de Investigação de Recursos Naturais, University of the Azores), and CIIMAR (Interdisciplinary Centre of Marine and Environmental Research, Porto, Portugal). RFP was supported by a doctoral grant M3.1.2/F/024/2011, Fundo Regional para a Ciência e Tecnologia.info:eu-repo/semantics/publishedVersio

Step-wise development of resilient ambient campus scenarios

This paper puts forward a new approach to developing resilient ambient applications. In its core is a novel rigorous development method supported by a formal theory that enables us to produce a well-structured step-wise design and to ensure disciplined integration of error recovery measures into the resulting implementation. The development method, called AgentB, uses the idea of modelling database to support a coherent development of and reasoning about several model views, including the variable, event, role, agent and protocol views. This helps system developers in separating various modelling concerns and makes it easier for future tool developers to design a toolset supporting this development. Fault tolerance is systematically introduced during the development of various model views. The approach is demonstrated through the development of several application scenarios within an ambient campus case study conducted at Newcastle University (UK) as part of the FP6 RODIN project. © 2009 Springer Berlin Heidelberg

Lepton jets from radiating dark matter

Journal of High Energy Physics 2015.7 (2015): 045 reproduced by permission of Scuola Internazionale Superiore di Studi Avanzati (SISSA)The idea that dark matter forms part of a larger dark sector is very intriguing, given the high degree of complexity of the visible sector. In this paper, we discuss lepton jets as a promising signature of an extended dark sector. As a simple toy model, we consider an O(GeV) DM fermion coupled to a new U(1)´ gauge boson (dark photon) with a mass of order GeV and kinetically mixed with the Standard Model photon. Dark matter production at the LHC in this model is typically accompanied by collinear radiation of dark photons whose decay products can form lepton jets. We analyze the dynamics of collinear dark photon emission both analytically and numerically. In particular, we derive the dark photon energy spectrum using recursive analytic expressions, using Monte Carlo simulations in Pythia, and using an inverse Mellin transform to obtain the spectrum from its moments. In the second part of the paper, we simulate the expected lepton jet signatures from radiating dark matter at the LHC, carefully taking into account the various dark photon decay modes and allowing for both prompt and displaced decays. Using these simulations, we recast two existing ATLAS lepton jet searches to significantly restrict the parameter space of extended dark sector models, and we compute the expected sensitivity of future LHC searchesJK and JL are supported by the German Research Foundation (DFG) under Grant No. KO 4820/1–1. PANM acknowledges partial support from the European Union FP7 ITN INVISIBLES (Marie Curie Actions, PITN-GA-2011-289442) and from the Spanish MINECO’s “Centro de Excelencia Severo Ochoa” Programme under grant SEV-2012-024

Seabed images from Southern Ocean shelf regions off the northern Antarctic Peninsula and in the southeastern Weddell Sea

Recent advances in underwater imaging technology allow for the gathering of invaluable scientific information on seafloor ecosystems, such as direct in situ views of seabed habitats and quantitative data on the composition, diversity, abundance, and distribution of epibenthic fauna. The imaging approach has been extensively used within the research project DynAMo (Dynamics of Antarctic Marine Shelf Ecosystems) at the Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research Bremerhaven (AWI), which aimed to comparatively assess the pace and quality of the dynamics of Southern Ocean benthos. Within this framework, epibenthic spatial distribution patterns have been comparatively investigated in two regions in the Atlantic sector of the Southern Ocean: the shelf areas off the northern tip of the Antarctic Peninsula, representing a region with above-average warming of surface waters and sea-ice reduction, and the shelves of the eastern Weddell Sea as an example of a stable high-Antarctic marine environment that is not (yet) affected by climate change. The AWI Ocean Floor Observation System (OFOS) was used to collect seabed imagery during two cruises of the German research vessel Polarstern, ANT-XXIX/3 (PS81) to the Antarctic Peninsula from January to March 2013 and ANT-XXXI/2 (PS96) to the Weddell Sea from December 2015 to February 2016. Here, we report on the image and data collections gathered during these cruises. During PS81, OFOS was successfully deployed at a total of 31 stations at water depths between 29 and 784 m. At most stations, series of 500 to 530 pictures ( >  15 000 in total, each depicting a seabed area of approximately 3.45 m2 or 2.3  ×  1.5 m) were taken along transects approximately 3.7 km in length. During PS96, OFOS was used at a total of 13 stations at water depths between 200 and 754 m, yielding series of 110 to 293 photos (2670 in total) along transects 0.9 to 2.6 km in length. All seabed images taken during the two cruises, including metadata, are available from the data publisher PANGAEA via the two persistent identifiers at https://doi.org/10.1594/PANGAEA.872719 (for PS81) and https://doi.org/10.1594/PANGAEA.862097 (for PS96)

Iridium complexes of the conformationally rigid IBioxMe4Ligand : hydride complexes and dehydrogenation of cyclooctene

A method for accessing the formally 14 VE iridium(III) hydride fragment {Ir(IBioxMe4)2(H)2}+ (2), containing the conformationally rigid NHC ligand IBioxMe4, is reported. Hydrogenation of trans-[Ir(IBioxMe4)2(COE)Cl] (1) in the presence of excess Na[BArF4] leads to the formation of dimeric [{Ir(IBioxMe4)2(H)2}2Cl][BArF4] (3), which is structurally fluxional in solution and acts as a reservoir of monomeric 2 in the presence of excess halogen ion abstractor. Stable dihydride complexes trans-[Ir(IBioxMe4)2(2,2′-bipyridine)(H)2][BArF4] (4) and [Ir(IBioxMe4)3(H)2][BArF4] (5) were subsequently isolated through in situ trapping of 2 using 2,2′-bipyridine and IBioxMe4, respectively, and fully characterized. Using mixtures of 3 and Na[BArF4] as a latent source of 2, the reactive monomeric fragment’s reactivity was explored with excess ethylene and cyclooctene, and trans-[Ir(IBioxMe4)2(C2H4)2][BArF4] (6) and cis-[Ir(IBioxMe4)2(COD)][BArF4] (7) were isolated, respectively, through sacrificial hydrogenation of the alkenes. Complex 6 is notable for the adoption of a very unusual orthogonal arrangement of the trans-ethylene ligands in the solid state, which has been analyzed computationally using energy and charge decomposition (EDA-NOCV). The formation of 7 via transfer dehydrogenation of COE highlights the ability to partner IBioxMe4 with reactive metal centers capable of C–H bond activation, without intramolecular activation. Reaction of 7 with CO slowly formed trans-[Ir(IBioxMe4)2(CO)2][BArF4] (8), but the equivalent reaction with bis-ethylene 6 was an order of magnitude faster, quantifying the strong coordination of COD in 7

Rhodium(I) and Iridium(I) complexes of the conformationally rigid IBioxMe4Ligand : computational and experimental studies of unusually tilted NHC coordination geometries

Computational methods have been used to analyze distorted coordination geometries in a coherent range of known and new rhodium(I) and iridium(I) complexes containing bioxazoline-based NHC ligands (IBiox). Such distortions are readily placed in context of the literature through measurement of the Cnt(NHC)–CNCN–M angle (ΘNHC; Cnt = ring centroid). On the basis of restricted potential energy calculations using cis-[M(IBioxMe4)(CO)2Cl] (M1; M = Rh, Ir), in-plane (yawing) tilting of the NHC was found to incur significantly steeper energetic penalties than orthogonal out-of-plane (pitching) movement, which is characterized by noticeably flat potential energy surfaces. Energy decomposition analysis (EDA) of the ground-state and pitched structures of M1 indicated only minor differences in bonding characteristics. In contrast, yawing of the NHC ligand is associated with a significant increase in Pauli repulsion (i.e., sterics) and reduction in M→NHC π back donation, but is counteracted by supplemental stabilizing bonding interactions only possible due to the closer proximity of the methyl substituents with the metal and ancillary ligands. Aided by this analysis, comparison with a range of carefully selected model systems and EDA, distorted coordination modes in trans-[M(IBioxMe4)2(COE)Cl] (M2; M = Rh, Ir) and [M(IBioxMe4)3]+ (M3; M = Rh, Ir) have been rationalized. Steric interactions were identified as the major contributing factor and are associated with a high degree of NHC pitching. In the case of Rh3, weak agostic interactions also contribute to the distortions, particularly with respect to NHC yawing, and are notable for increasing the bond dissociation energy of the distorted ligands. Supplementing the computational analysis, an analogue of the formally 14 VE Rh(I) species Rh3 bearing the cyclohexyl-functionalized IBiox6 ligand ([Rh(IBiox6)3]+, Rh3-Cy) was prepared and found to exhibit an exceptionally distorted NHC ligand (ΘNHC = 155.7(2)°) in the solid state

Spectral averaging techniques for Jacobi matrices

Spectral averaging techniques for one-dimensional discrete Schroedinger operators are revisited and extended. In particular, simultaneous averaging over several parameters is discussed. Special focus is put on proving lower bounds on the density of the averaged spectral measures. These Wegner type estimates are used to analyze stability properties for the spectral types of Jacobi matrices under local perturbations

Variability in disease phenotypes within a single PRNP genotype suggests the existence of multiple natural sheep scarpie strains within Europe

Variability of pathological phenotypes within classical sheep scrapie cases has been reported for some time, but in many instances it has been attributed to differences in the PRNP genotype of the host. To address this issue we have examined by immunohistochemistry (IHC) and Western blotting (WB) for the disease-associated form of the prion protein (PrPd), the brains of 23 sheep from five European countries, all of which were of the same ARQ/ARQ genotype. As a result of IHC examinations, sheep were distributed into five groups with different phenotypes and the groups were the same regardless of the scoring method used, ‘long’ or ‘short’ PrPd profiling. The groups made did not respond to the geographical origin of the cases and did not correlate with the vacuolar lesion profiles, which showed a high individual variability. Discriminatory IHC and WB methods coincided to detect a ‘CH1641-like’ case but otherwise correlated poorly in the classification of disease phenotypes. No other polymorphisms of the PRNP gene were found that could account for the pathological differences, except perhaps for a sheep from Spain with a mutation at codon 103 and a unique pathological phenotype. Preliminary evidence indicates that those different IHC phenotypes correlate with distinct biological properties on bioassay, suggesting that they are indicative of strain diversity. We therefore conclude that natural scrapie strains exist and that they can be revealed by detailed pathological examinations, which can be harmonized between laboratories to produce comparable results

Understanding the Random Displacement Model: From Ground-State Properties to Localization

We give a detailed survey of results obtained in the most recent half decade which led to a deeper understanding of the random displacement model, a model of a random Schr\"odinger operator which describes the quantum mechanics of an electron in a structurally disordered medium. These results started by identifying configurations which characterize minimal energy, then led to Lifshitz tail bounds on the integrated density of states as well as a Wegner estimate near the spectral minimum, which ultimately resulted in a proof of spectral and dynamical localization at low energy for the multi-dimensional random displacement model.Comment: 31 pages, 7 figures, final version, to appear in Proceedings of "Spectral Days 2010", Santiago, Chile, September 20-24, 201