LES on unstructured deforming meshes: Towards reciprocating IC engines

A variable explicit/implicit characteristics-based advection scheme that is second-order accurate in space and time has been developed recently for unstructured deforming meshes (O'Rourke & Sahota 1996a). To explore the suitability of this methodology for Large-Eddy Simulation (LES), three subgrid-scale turbulence models have been implemented in the CHAD CFD code (O'Rourke & Sahota 1996b): a constant-coefficient Smagorinsky model, a dynamic Smagorinsky model for flows having one or more directions of statistical homogeneity, and a Lagrangian dynamic Smagorinsky model for flows having no spatial or temporal homogeneity (Meneveau et al. 1996). Computations have been made for three canonical flows, progressing towards the intended application of in-cylinder flow in a reciprocating engine. Grid sizes were selected to be comparable to the coarsest meshes used in earlier spectral LES studies. Quantitative results are reported for decaying homogeneous isotropic turbulence, and for a planar channel flow. Computations are compared to experimental measurements, to Direct-Numerical Simulation (DNS) data, and to Rapid-Distortion Theory (RDT) where appropriate. Generally satisfactory evolution of first and second moments is found on these coarse meshes; deviations are attributed to insufficient mesh resolution. Issues include mesh resolution and computational requirements for a specified level of accuracy, analytic characterization of the filtering implied by the numerical method, wall treatment, and inflow boundary conditions. To resolve these issues, finer-mesh simulations and computations of a simplified axisymmetric reciprocating piston-cylinder assembly are in progress

Probing vibrational modes in silica glass using inelastic neutron scattering with mass contrast

The effective vibrational density of states (VDOS) has been derived from inelastic neutron-scattering data, for isotopically substituted Si O 18 2 and Si O 16 2 glasses, to gain information about the relative contribution to the Si and O partial VDOS. This is a necessary point of comparison for vibrational mode analyses of molecular-dynamics models. The mass contrast has led to a measurable shift between vibrational mode frequencies in the effective VDOS of Si O 18 2 and Si O 16 2, which is well reproduced in an ab initio simulation. The vibrational band centered at 100.2 meV is confirmed to have significantly lower contribution from the oxygen partial VDOS, than the higher (150.3 and 135.8 meV) and lower energy bands (53.3 meV)

Photoevaporation obfuscates the distinction between wind and viscous angular momentum transport in protoplanetary discs

How protoplanetary discs evolve remains an unanswered question. Competing theories of viscosity and magnetohydrodynamic disc winds have been put forward as the drivers of angular momentum transport in protoplanetary discs. These two models predict distinct differences in the disc mass, radius and accretion rates over time, that could be used to distinguish them. However that expectation is built on models that do not include another important process - photoevaporation, both internally by the host star and externally by neighbouring stars. In this work we produce numerical models of protoplanetary discs including viscosity, magnetohydrodynamic disc winds, and internal and external photoevaporation. We find that even weak levels of external photoevaporation can significantly affect the evolution of protoplanetary discs, influencing the observable features such as disc radii, that might otherwise distinguish between viscous and wind driven discs. Including internal photoevaporation further suppresses differences in evolution between viscous and wind driven discs. This makes it much more difficult than previously anticipated, to use observations of nearby star forming regions to determine whether discs are viscous or wind driven. Interestingly we find that evolved protoplanetary discs in intermediate FUV environments may be the best cases for differentiating whether they evolve through viscosity or magnetohydrodynamic disc winds. Ultimately this work demonstrates the importance of understanding what are the key evolutionary processes and including as many of those as possible when exploring the evolution of protoplanetary discs.Comment: Accepted for publication in MNRAS. 16 pages, 14 figure

Tetranuclear Group 7/8 Mixed-Metal and Open Trinuclear Group 7 Metal Carbonyl Clusters Bearing Bridging 2-mercapto-1-methylimidazole Ligands

The reactivity of group 7 metal dinuclear carbonyl complexes [M2(CO)6(μ-SN2C4H5)2] (1, M = Re; 2, M = Mn) toward group 8 metal trinuclear carbonyl clusters were examined. Reactions of 1 and 2 with [Os3(CO)10(NCMe)2] in refluxing benzene furnished the tetranuclear mixed-metal clusters [Os3Re(CO)13(μ3-SN2C4H5)] (3) and [Os3Mn(CO)13(μ3-SN2C4H5)] (4), respectively. Similar treatment of 1 and 2 with Ru3(CO)12 yielded the ruthenium analogs [Ru3Re(CO)13(μ3-SN2C4H5)] (5), and [Ru3Mn(CO)13(μ3-SN2C4H5)] (6), but in the case of 2 a secondary product [Mn3(CO)10(μ-Cl)(μ3-SN2C4H5)2] (7) was also formed. Compounds 3–6 have a butterfly core of four metal atoms with the M (Mn or Re) at a wingtip of the butterfly and containing a noncrystallographic mirror plane of symmetry. This result provides a potential method for the synthesis of a series of new group 7/8 mixed metal complexes containing a bifunctional heterocyclic ligand. Compound 7 is a unique example of a 54-electron trimanganese complex having bridging 2-mercapto-1-methylimidazolate and chloride ligands. Interestingly, the reaction of 1 with Fe3(CO)12 at 70–75 °C furnished the tri- and dirhenium complexes [Re3(CO)10(μ-H)(μ3-SN2C4H5)2] (8) and [Re2(CO)6(N2C4H5)(μ-SN2C4H5)2] (9), respectively instead of the expected formation of the mixed-metal clusters. The former is an interesting example of a 52-electron trirhenium-hydridic complex containing bridging 2-mercapto-1-methylimidazolate ligand, while the latter can be viewed as a 1-methylimidazole adduct of 1. No mixed Fe–Re complexes were produced in this reaction. The molecular structures of the new compounds 3–5 and 7–9 were established by single-crystal X-ray diffraction analyses and the DFT studies of compounds 5, 7 and 8 are reported

Children with moderate to severe cerebral palsy may not benefit from stochastic vibration when developing independent sitting

Purpose: Determine sitting postural control changes for children with cerebral palsy (CP), using a perceptual-motor intervention and the same intervention plus stochastic vibration through the sitting surface. Methods: Two groups of children with moderate or severe CP participated in the 12 week interventions. The primary outcome measure was center of pressure data from which linear and nonlinear variables were extracted and the gross motor function measure (GMFM). Results: There were no significant main effects of intervention or time or an interaction. Both treatment groups increased the Lyapunov exponent values in the medial–lateral direction three months after the start of treatment as well as their GMFM scores in comparison with baseline. Conclusions: The stochastic vibration did not seem to advance the development of sitting postural control in children between the ages of 2 and 6 years. However, perceptual-motor intervention was found beneficial in advancing sitting behavior

Carbon−Phosphorus Bond Activation of Tri(2-thienyl)phosphine at Dirhenium and Dimanganese Centers

Reaction of [Re2(CO)9(NCMe)] with tri(2-thienyl)phosphine (PTh3) in refluxing cyclohexane affords three substituted dirhenium complexes: [Re2(CO)9(PTh3)] (1), [Re2(CO)8(NCMe)(PTh3)] (2), and [Re2(CO)8(PTh3)2] (3). Complex 2 was also obtained from the room-temperature reaction of [Re2(CO)8(NCMe)2] with PTh3 and is an unusual example in which the acetonitrile and phosphine ligands are coordinated to the same rhenium atom. Thermolysis of 1 and 3 in refluxing xylene affords [Re2(CO)8(μ-PTh2)(μ-η1:κ1-C4H3S)] (4) and [Re2(CO)7(PTh3)(μ-PTh2)(μ-H)] (5), respectively, both resulting from carbon−phosphorus bond cleavage of a coordinated PTh3 ligand. Reaction of [Re2(CO)10] and PTh3 in refluxing xylene gives a complex mixture of products. These products include 3−5, two further binuclear products, [Re2(CO)7(PTh3)(μ-PTh2)(μ-η1:κ1-C4H3S)] (6) and [Re2(CO)7(μ-κ1:κ2-Th2PC4H2SPTh)(μ-η1:κ1-C4H3S)] (7), and the mononuclear hydrides [ReH(CO)4(PTh3)] (8) and trans-[ReH(CO)3(PTh3)2] (9). Binuclear 6 is structurally similar to 4 and can be obtained from reaction of the latter with 1 equiv of PTh3. Formation of 7 involves a series of rearrangements resulting in the formation of a unique new diphosphine ligand, Th2PC4H2SPTh. Reaction of [Mn2(CO)10] with PTh3 in refluxing toluene affords the phosphine-substituted product [Mn2(CO)9(PTh3)] (10) and two carbon−phosphorus bond cleavage products, [Mn2(CO)6(μ-PTh2)(μ-η1:η5-C4H3S)] (11) and [Mn2(CO)5(PTh3)(μ-PTh2)(μ-η1:η5-C4H3S)] (12). Both 11 and 12 contain a bridging thienyl ligand that is bonded to one manganese atom in a η5-fashion. The molecular structures of eight of these new complexes were established by single-crystal X-ray diffraction studies, allowing a detailed analysis of the disposition of the coordinated ligands

Heritability of Oral Microbiota and Immune Responses to Oral Bacteria

Maintaining a symbiotic oral microbiota is essential for oral and dental health, and host genetic factors may affect the composition or function of the oral microbiota through a range of possible mechanisms, including immune pathways. The study included 836 Swedish twins divided into separate groups of adolescents (n= 418) and unrelated adults (n= 418). Oral microbiota composition and functions of non-enzymatically lysed oral bacteria samples were evaluated using 16S rRNA gene sequencing and functional bioinformatics tools in the adolescents. Adaptive immune responses were assessed by testing for serum IgG antibodies against a panel of common oral bacteria in adults. In the adolescents, host genetic factors were associated with both the detection and abundance of microbial species, but with considerable variation between species. Host genetic factors were associated with predicted microbiota functions, including several functions related to bacterial sucrose, fructose, and carbohydrate metabolism. In adults, genetic factors were associated with serum antibodies against oral bacteria. In conclusion, host genetic factors affect the composition of the oral microbiota at a species level, and host-governed adaptive immune responses, and also affect the concerted functions of the oral microbiota as a whole. This may help explain why some people are genetically predisposed to the major dental diseases of caries and periodontitis

A Survey of Motorcycle Safety Programs Across Australasia

The continued growth in popularity of motorcycling has been accompanied by an increase in the number of motorcyclists killed and injured. While the effectiveness of motorcycle licensing and training has been examined, little is known about the many smaller motorcycle safety programs. This paper describes current motorcycle safety programs in Australia and New Zealand. Programs were defined by the six factors identified as major contributors to the over-representation of motorcycles in serious crashes (inexperience or lack of recent experience, driver failure to see motorcyclists, vulnerability to injury, road surface and environmental hazards, risk taking and instability and braking difficulties) and by their organisation, type of delivery and likely effectiveness. Very few small-scale programs had been evaluated. Many statewide programs had only limited or no process evaluation and very few had an outcome evaluation. Recommendations are made for current and future programs for delivery by road safety stakeholders, clubs and other local organisations

Isolating signatures of major cloud-cloud collisions using position-velocity diagrams

This article has been accepted for publication in Monthly Notices of the Royal Astronomical Society. © 2015 The Authors. Published by Oxford University Press on behalf of the Royal Astronomical Society.Collisions between giant molecular clouds are a potential mechanism for triggering the formation of massive stars, or even super star clusters. The trouble is identifying this process observationally and distinguishing it from other mechanisms. We produce synthetic position–velocity diagrams from models of cloud–cloud collisions, non-interacting clouds along the line of sight, clouds with internal radiative feedback and a more complex cloud evolving in a galactic disc, to try and identify unique signatures of collision. We find that a broad bridge feature connecting two intensity peaks, spatially correlated but separated in velocity, is a signature of a high-velocity cloud–cloud collision. We show that the broad bridge feature is resilient to the effects of radiative feedback, at least to around 2.5 Myr after the formation of the first massive (ionizing) star. However for a head-on 10 km s−1 collision, we find that this will only be observable from 20 to 30 per cent of viewing angles. Such broad–bridge features have been identified towards M20, a very young region of massive star formation that was concluded to be a site of cloud–cloud collision by Torii et al., and also towards star formation in the outer Milky Way by Izumi et al.Peer reviewe