A conservative level set method suitable for variable-order approximations and unstructured meshes

This paper presents a formulation for free-surface computations capable of handling complex phenomena, such as wave breaking, without excessive mass loss or smearing of the interface. The formulation is suitable for discretizations using finite elements of any topology and order, or other approaches such as isogeometric and finite volume methods. Furthermore, the approach builds on standard level set tools and can therefore be used to augment existing implementations of level set methods with discrete conservation properties. Implementations of the method are tested on several difficult two- and three-dimensional problems, including two incompressible air/water flow problems with available experimental results. Linear and quadratic approximations on unstructured tetrahedral and trilinear approximations on hexahedral meshes were tested. Global conservation and agreement with experiments as well as computations by other researchers are obtained.     

Comparison of batch and in‐line PECVD of a‐Si:H passivation layers for silicon heterojunction solar cells

We present PECVD deposition of i‐a‐Si:H in an in‐line configuration for the fabrication of silicon heterojunction solar cells. For industry, in‐line processing has the potential to increase production throughput and yield. We compared batch and in‐line fabrication of i‐a‐Si:H passivation samples with identical plasma conditions and observed that the a‐Si:H material properties do not significantly differ. In batch‐type production the substrate is in the plasma zone at the moment of ignition, whereas for in‐line deposition the substrate is introduced into the plasma zone when steady plasma conditions have been reached. Our preliminary results show that there are depositions conditions that result both for in‐line and batch‐type deposition in good i‐a‐Si:H passivation layers. Therefore both methods can equally well be considered for the production of silicon heterojunction solar cells. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Milling of Organic Solids in a Jet Mill. Part 1: Determination of the Selection Function and Related Mechanical Material Properties

The particle size distribution of pharmaceutically active materials and other fine chemicals determines the performance of the final product to a large extent. Often milling of these particles is necessary. It is not possible to determine the milling conditions solely on the basis of the particle size distribution of the starting material, because the (mechanical) properties of the material also determine the desired milling conditions. It is often not possible to optimize milling conditions experimentally because the amount of material available is frequently highly limited. A theoretical approach towards predicting the best milling conditions is needed. The purpose of this study was to develop a method to predict the desired milling conditions given a specific (organic) solid material. The selection function and the breakage distribution function are usually the starting points in modeling the milling process. The selection function is the parameter that includes the material and mill properties. Dimensional analysis made it possible to correlate the selection function with material properties. A set of theories available in the literature enable prediction of the material properties. For different compounds (lactose, paracetamol, a steroidal compound, and two heterocyclic compounds) the selection functions were calculated. The calculations predict differences: lactose reduces slowly in size, while one of the heterocyclic compounds shows the most intense fracture.     

Synthesis of the cyclobutanone core of solanoeclepin A intramolecular allene butenolide photocycloaddition

The compact tricyclic substructure of solanoeclepin A containing the cyclobutanone ring was prepared by using as the key step a highly regioselective intramolecular [2 + 2]-photocycloaddition reaction between one of the [small pi]-bonds of an allene and the CC double bond of a butenolide.     

Synthesis of flexibilene,a naturally occurrring 15-membered-ring diterpene

A total synthesis of the naturally occurring 15-membered ring diterpene, flexibilene, was accomplished using a titanium-induced cyclization of the keto-aldehyde 3,37,11-tetramethyl- 15-oxohexadeca-4E,7E,11E-trienal as the key step.     

STATIC and TIME-RESOLVED FLUORESCENCE OF AN AMPHIPHILIC FLAVIN IN AEROSOL OT REVERSED MICELLES

Spectral and time-resolved fluorescence studies have been carried out on N(3)-undecyllumi-flavin dispersed in reversed micelles composed of the surfactant sodium di(2-ethylhexyl) sulfosuccinate (Aerosol OT, AOT), various amounts of water and n -heptane as continuous phase. The fluorescence spectral properties (spectral distribution, quantum efficiencies and lifetimes) as function of the water to AOT molar ratio suggest that the flavin occupies a position within the surfactant boundary layer in close contact with water. The fluorescence anisotropy exhibits biexponential decay with a short (0.3 ns) and a longer (1.6–2.4 ns) correlation time. The contribution of the short component increases with the growth of the droplet providing evidence for enhanced flexibility of the flavin in the interfacial layer.     

Isostructural triazenido complexes of first row transition metals. Part 1. Synthesis and properties of (η5-C5H5)(L)(RN3R) FeII,L = PPh3, P(OMe)3, P(OPh)3 or CO

Summary The complexes ( ⁵-C₅H₅)L(RN₃R)Fe, where L = PPh₃, P(OMe)₃, P(OPh)₃ or CO and R,R=p-MeC₆H₄ orp-ClC₆H₄, have been prepared by reaction of suitable iron halides with Ag(RN₃R). The mechanism of formation of the Fe(RN₃R) group is thought to involve, initially, an Fe-Ag bond. The bonding mode of the triazenido ligand is chelating in a six coordinate configuration. The spectroscopic results are discussed in relation to variations in the environment of the metal atom.