Transient mononuclear low-spin alkylperoxoiron(III) and oxoiron(IV) complexes that are relevant to the activation of dioxygen by nonheme iron enzymes have been generated from synthetic iron(II) complexes of neutral tetradentate (TPA) and pentadentate (N4Py, Bn-TPEN) ligands and structurally characterized by means of Fe K-edge X-ray absorption spectroscopy (XAS). Notable features obtained from f...

Recent studies of spectral lines of the CNO elements in the Sun and unevolved disk and halo stars show that most published abundance data may be affected by systematic errors due to inadequate 1D modelling of stellar atmospheres. This raises doubts about previously derived trends of CNO abundances as a function of [Fe/H]. In this review we concentrate on abundance ratios derived from weak spect...

Using realistic hydrodynamical simulations of the solar surface convection as 3D, time-dependent, inhomoge-neous model atmospheres, the solar photospheric Si abundance has been determined to be log ǫ Si = 7.51 ± 0.04. This constitutes a difference of 0.04 dex compared with previous estimates based on the 1D Holweger-Müller (1974) model, of which half is attributable to the adopted model atmosph...

A size-dependent strain gradient Mori-Tanaka model (SGMT) is developed by applying strain gradient elasticity to the classical Mori-Tanka (M-T) method. The SGMT model is shown to be able to accurately predict the experimentally observed increase in stiffness of a layerby-layer (LBL)-assembled polyurethane-montmorillonite (PU-MTM) nanocomposite with various volume fractions. 3D Finite Element (F...

Well-defined 3D Fe(3)S(4) flower-like microspheres were synthesized via a simple biomolecule-assisted hydrothermal process for the first time. On the basis of a series of contrast experiments, the probable growth mechanism and fabrication process of the products were proposed. The electrical conductivity property of the as-synthesized Fe(3)S(4) sample exhibited a rectifying characteristic when ...

Micro-finite element (FE) analysis is a well established technique for the evaluation of the elastic properties of trabecular bone, but is limited in its application due to the large number of elements that it requires to represent the complex internal structure of the bone. In this paper, we present an alternative FE approach that makes use of a recently developed 3D-Line Skeleton Graph Analys...

We discuss, in this paper, a flux-free method for the computation of strict upper bounds of the energy norm of the error in a Finite Element (FE) computation. The bounds are strict in the sense that they refer to the difference between the displacement computed on the FE mesh and the exact displacement, solution of the continuous equations, rather than to the difference between the displacement...

This section of the report discusses a tool which can create automated 3D CAD drill models based on geometric as well as manufacturing parameters. This tool is a required component of numerical/FEmodels of FRP drilling. The tool outputs the drill in a variety of solid geometry formats which can then be meshed and used in different FE analysis packages.