Structure of self-assembled Mn atom chains on Si(001)

Mn has been found to self-assemble into atomic chains running perpendicular to the surface dimer reconstruction on Si(001). They differ from other atomic chains by a striking asymmetric appearance in filled state scanning tunneling microscopy (STM) images. This has prompted complicated structural models involving up to three Mn atoms per chain unit. Combining STM, atomic force microscopy and density functional theory we find that a simple necklace-like chain of single Mn atoms reproduces all their prominent features, including their asymmetry not captured by current models. The upshot is a remarkably simpler structure for modelling the electronic and magnetic properties of Mn atom chains on Si(001).Comment: 5 pages, 4 figure

Health-related motor testing of children in primary school: A systematic review of criterion-referenced standards

Being physically fit in younger years prevents several diseases in the presence as well as in the life course. Therefore, monitoring physical fitness and motor competence through motor testing is essential for determining developmental status and identifying health-related risks. The main objectives of this systematic review were (1) to identify currently available health-related criterion-referenced standards and cut-off points for physical fitness and motor competence test items, (2) to frame the methodological background on setting health-related criterion-referenced standards and (3) to give implications for a health-related evaluation system for physical fitness and motor competence tests. The electronic data base search (PubMed, Web of Science and SURF) yielded 2062 records in total and identified six empirical studies reporting cut-off points of motor test items for children (7–10 years), as well as 30 methodological papers discussing determination approaches to health-related criterion-referenced standards. Data collection, selection and analyses followed the PRISMA guidelines. Health-related motor test standards need to be gender- and age-specific but should refer to an absolute cut-off point rather than to relative performance in the reference group. Due to the lack of data on health-related criterion referenced standards, receiver-operating-characteristic (ROC) curves provide a tool for the determination of cut-off points and criterion referenced standards for physical fitness and motor competence tests. A standardized approach forms the fundamental base for a globally applicable evaluation of health-related fitness tests

Modeling and simulation of phase-transitions in multicomponent aluminum alloy casting

The casting process of aluminum products involves the spatial distribution of alloying elements. It is essential that these elements are uniformly distributed in order to guarantee reliable and consistent products. This requires a good understanding of the main physical mechanisms that affect the solidification, in particular the thermodynamic description and its coupling to the transport processes of heat and mass that take place. The continuum modeling is reviewed and methods for handling the thermodynamics component of multi-element alloys are proposed. Savings in data-storage and computing costs on the order of 100 or more appear possible, when a combination of data-reduction and data-representation methods is used. To test the new approach a simplified model was proposed and shown to qualitatively capture the evolving solidification front

Structural changes of Pd-13 upon charging and oxidation/reduction

First-principle generalized gradient corrected density functional calculations have been performed to study the stability of cationic and anionic Pd13 +/−, and neutral Pd13O2 clusters. It is found that while cationic Pd13 + favors a C s geometry similar to the neutral Pd13, both anionic Pd13 − and neutral Pd13O2 favor a compact ∼I h structure. A detailed analysis of the electronic structure shows that the stabilization of the delocalized 1P and 2P cluster orbitals, and the hybridization of the 1D orbitals with the oxygen atomic p orbitals play an important role in the energetic ordering of C s and ∼I h isomers. A structural oscillation is predicted during an oxidation/reduction cycle of Pd13 in which small energy barriers between 0.3 and 0.4 eV are involved

Directed Rh(I)-Catalyzed Asymmetric Hydroboration of Prochiral 1-Arylcycloprop-2-ene-1-carboxylic Acid Derivatives

This is the peer reviewed version of the following article: A. Edwards, M. Rubina, M. Rubin, Chem. Eur. J. 2018, 24, 1394., which has been published in final form at http://doi.org/10.1002/chem.201704443. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.A full account on rhodium-catalyzed asymmetric, directed hydroboration of functionalized prochiral cyclopropenes affording enantiomerically enriched cyclopropylboronates is reported. The scope and limitations of two alternate directing groups, ester and carboxamide, are evaluated. It was found that hydroboration of esters appeared to be more sensitive to substitution in the aromatic ring of the substrates. Specifically, ortho-halogens were detrimental for diastereo- and enantioselectivity, possibly because of additional coordination with rhodium. In contrast, more Lewis-basic amide directing groups allowed for stronger chelation to the transition metal, leading to consistently high diastereo- and enantioselectivity in hydroboration across a broader range of substrates

The Future of Neutrino Mass Measurements: Terrestrial, Astrophysical, and Cosmological Measurements in the Next Decade. Highlights of the NuMass 2013 Workshop. Milano, Italy, February 4 - 7, 2013

The third Workshop of the NuMass series ("The Future of Neutrino Mass Measurements: Terrestrial, Astrophysical, and Cosmological Measurements in the Next Decade: NuMass 2013") was held at Dipartimento di Fisica "G. Occhialini, University of Milano-Bicocca in Milano, Italy, on 4-7 February 2013. The goal of this international workshop was to review the status and future of direct and indirect neutrino mass measurements in the laboratory as well as from astrophysical and cosmological observations. This paper collects most of the contributions presented during the Workshop

Semiflexible polymer conformation, distribution and migration in microcapillary flows

The flow behavior of a semiflexible polymer in microchannels is studied using Multiparticle Collision Dynamics (MPC), a particle-based hydrodynamic simulation technique. Conformations, distributions, and radial cross-streamline migration are investigated for various bending rigidities, with persistence lengths Lp in the range 0.5 < Lp/Lr < 30. The flow behavior is governed by the competition between a hydrodynamic lift force and steric wall-repulsion, which lead to migration away from the wall, and a locally varying flow-induced orientation, which drives polymer away from the channel center and towards the wall. The different dependencies of these effects on the polymer bending rigidity and the flow velocity results in a complex dynamical behavior. However, a generic effect is the appearance of a maximum in the monomer and the center-of-mass distributions, which occurs in the channel center for small flow velocities, but moves off-center at higher velocities.Comment: in press at J. Phys. Condens. Matte

A Mole for Warm Magnetic and Optical Measurements of LHC Dipoles

A new rotating coil probe (a mole) has been developed for the simultaneous measurement of the magnetic field and magnetic axis of warm superconducting LHC dipoles and associated corrector windings. The mole houses a radial rotating coil and travels inside the magnet aperture by means of an externally driven two-way traction belt. The coil is rotated by an on-board piezo motor, being tested in view of future devices for cold measurements as the only type of motor compatible with strong magnetic fields. A virtual light spot is generated in the coil center by a LED source. The position of this light spot is measured from the outside by a system including a telescope, a CCD camera and a DSP. Jigs on reference granite tables are used to transfer the optical measurements to the magnet fiducials. We describe here the main characteristics and performance of the mol