The weak hereditary class of a variety

We study the weak hereditary class S _w ( ) of all weak subalgebras of algebras in a total variety }. We establish an algebraic characterization, in the sense of Birkhoff’s HSP theorem, and a syntactical characterization of these classes. We also consider the problem of when such a weak hereditary class is weak equational.     

Conformational searching of transition metal compounds

To date, no conformational search of inorganic complexes has been reported that searches for all the conformations and configurations available to the complex. This is due to the various coordination geometries that transition metal ions can adopt and the difficulties in conducting conformational searches with systems that have connected ring systems, such as the ones formed when a metal ion binds a multidentate ligand. Using three test complexes {[Co(dien)₂]³⁺, [Co(dien)(dpt)]³⁺, and [Co(hexamethylcyclam)(Cl)} the ability of the random kick (Cartesian stochastic Monte Carlo search) method and the Monte Carlo dihedral and positional method to find all conformations and geometric isomers was tested (dien, diethylenetriamine; dpt, di(3-aminopropyl)amine; hexamethylcyclam: tet-a, meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane; tet-b, racemic-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane). Both methods are significant improvements on the current method by which all possible isomers are entered graphically and minimized individually. The major difficulty that was encountered was how to differentiate between the large number of similar conformations found. ©1999 John Wiley & Sons, Inc. J Comput Chem 20: 1549–1558, 1999     

Fracture in single crystal NiTi

This paper presents an investigation of the pseudoelastic transformation of two crystallographic orientations of a single crystal NiTi shape memory alloy (SMA). Both uniaxial tension and notched tension samples are considered with the tensile axes along the [1 0 0] and [1 1 1] directions. The phase transformation is observed using optical techniques in situ. For the uniaxial tension samples, martensite plates and Lüders-band structures are observed. For the notched samples, transformation structures in the [1 0 0] sample appeared predominantly on the sides of the notch and crack tip with stable crack propagation. In the [1 1 1] notched samples transformation occurs directly ahead of the notch and unstable crack propagation is observed. An available work criterion is used to predict the location of the transformation, with good agreement to the experimental observations. The different fracture behavior of the two notched sample orientations is explained utilizing the available work calculations.     

Hybrid reflecting objectives for functional multiphoton microscopy in turbid media

Most multiphoton imaging of biological specimens is performed using microscope objectives optimized for high image quality under wide-field illumination. We present a class of objectives designed de novo without regard for these traditional constraints, driven exclusively by the needs of fast multiphoton imaging in turbid media: the delivery of femtosecond pulses without dispersion and the efficient collection of fluorescence. We model the performance of one such design optimized for a typical brain-imaging setup and show that it can greatly outperform objectives commonly used for this task.     

Electron spin density distribution in the polymer phase of CsC60: assignment of the NMR spectrum

We present high resolution 133Cs-13C double resonance NMR data and 13C-13C NMR correlation spectra of 13C enriched samples of the polymeric phase of CsC60. These data lead to a partial assignment of the lines in the 13C NMR spectrum of CsC60 to the carbon positions on the C60 molecule. A plausible completion of the assignment can be made on the basis of an ab initio calculation. The data support the view that the conduction electron density is concentrated at the C60 "equator," away from the interfullerene bonds.