Numerical continuation of degenerate homoclinic orbits in planar systems

In this paper we develop numerical algorithms for the continuationof degenerate homoclinic connections in planar systems. We considerthe case where the equilibrium point has zero trace and twocases of higher-order degeneracies. The method we propose isable to continue homoclinic connections of order up to codimension-four.Application of the algorithm to four examples supports its validityand demonstrates its usefulness.     

Gas-phase deprotonation of arylalkylamines. A collision-induced dissociation study

The collision-induced dissociation (CID) of deprotonated arylalkylamines of general formula R(1)C(6)H(4)CHR(2)CH(2)NR(3)(2) (where R(1) = H, OH, F or NO(2); R(2) = H or OH; R(3) = H or CH(3)) generated by negative chemical ionization with H(2)O and D(2)O as ionizing reagents, is discussed. The negative chemical ionization mass spectra show that, in the absence of a hydroxy group in the aromatic ring, deprotonation takes place at the benzylic position whereas the proton is lost from the OH group when present. The nitro compound forms only M(-.) ions. The CID spectra of the deprotonated molecules show that fragmentations are strongly dependent on the structural features of the molecules, namely the presence or absence of substituents in the aromatic ring or aliphatic chain. Copyright 1999 John Wiley & Sons, Ltd.     

Introduction of curvature in amphipathic oligothiophenes for defined aggregate formation

In this study the possibility to control the size and shape of self-assembled structures through the local curvature of their molecular building blocks has been investigated. To this end a series of amphipathic conjugated oligothiophenes with a well-defined curvature of their backbone has been designed and synthesized. The molecular (local) curvature of these oligothiophenes resulted from a preference for cis instead of trans conformations at specific positions along the oligothiophene backbone, which can be controlled by the sequence of hydrophilic and hydrophobic groups, while their ratio was kept constant. The self-assembly of ter-, sexi-, and dodecathiophenes appeared to be a low-cooperative process, involving the formation of premicellar aggregates at sub-millimolar concentrations, which at concentrations in the millimolar regime transformed into micelles and cylindrical micelles. The aggregates display fine structures with dimensions reminiscent of the thiophene molecules. The structure-morphology relationship of the ter- and sexithiophenes could be described by conventional packing theory. However, with the dodecathiophene, the backbone curvature governed the formation of cylindrical aggregates with a well-defined diameter. These results demonstrate that it is possible to control the aggregation morphology of simple amphipathic oligothiophenes by implementation of an additional structural motif namely, the curvature.     

The onset of coulomb explosions in polyatomic molecules

With the development of high intensity femtosecond lasers, the ionisation and dissociation dynamics of molecules has become an area of considerable interest. Using the technique of femtosecond laser mass spectrometry (FLMS), the molecules carbon disulphide, pyrimidine, toluene, cyclohexanone and benzaldehyde are studied with pulse widths of 50 fs in the near infrared (IR) wavelength region (790 nm). Results are presented and contrasted for laser beam intensities around 10(15) and 10(16) W cm(-2). For the lower intensities, the mass spectra yield dominant singly charged parent ions. Additionally, the appearance of doubly charged parent ions is evident for carbon disulphide, toluene and benzaldehyde with envelopes of doubly charged satellite species existing in these local regions. Carbon disulphide also reveals a small triply charged component. Such atomic-like features are thought to be a strong fingerprint of FLMS at these intensities. However, upon increasing the laser intensity to approximately 10(16) W cm(-2), parent ion dominance decreases and the appearance of multiply charged atomic species occurs, particularly carbon. This phenomenon has been attributed to Coulomb explosions in which the fast absorption of many photons may produce transient highly ionised parent species which can subsequently blow apart. Copyright 1999 John Wiley & Sons, Ltd.     

Correction to : Estimating Measurement Uncertainty on Stress-Strain Curves from SHPB

Experimental Mechanics - Equation (12) in the original article [1] gives the strain from the measured voltage on a full bridge configuration of the four strain gages. The full-bridge is intended to...