Numerical simulation of flow past a cylinder using models of XPP type

We present stable and accurate spectral element methods for predicting the steady-state flow of branched polymer melts past a confined cylinder. The fluid is modelled using a modification of the pom-pom model known as the single eXtended Pom-Pom (XPP) model, where we have included a multi-mode model of a commercial low-density polyethylene. We have analyzed the XPP model and found interesting multiple solutions for certain choices of the parameters which indicate possible problems with the model. The operator-integration-factor-splitting technique is used to discretize the governing equations in time, while the spectral element method is used in space. An iterative solution algorithm that decouples the computation of velocity and pressure from that of stress is used to solve the discrete equations. Appropriate preconditioners are developed for the efficient solution of these problems. Local upwinding factors are used to stabilize the computations. Numerical results are presented demonstrating the performance of the algorithm and the predictions of the model. The influence of the model parameters on the solution is described and, in particular, the dependence of the drag on the cylinder as function of the Weissenberg number.     

Analternative model for the conductivity behavior of K2Pt(CN)4Br0.3·3H2O

It is shown that the reordering of the bromine atoms into a new cubic lattice at low temperatures can produce the changes observed in the conductivity behavior of the mixed valence salt K₂Pt(CN)₄Br_0.32·3H₂O. The optical data are examined in terms of an RPA calculation of the dielectric response of the crystal and it is noted that a periodic potential can reproduce the observed structure in the imaginary part without the need for identifying the charge carriers.     

Precise mass measurement of a double-stranded 500 base-pair (309 kDa) polymerase chain reaction product by negative ion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICRMS) has been used to determine the mass of a double-stranded 500 base-pair (bp) polymerase chain reaction (PCR) product with an average theoretical mass of the blunt-ended (i.e. unadenylated) species of 308 859.35 Da. The PCR product was generated from the linearized bacteriophage Lambda genome which is a double-stranded template. Utilization of ethanol precipitation in tandem with a rapid microdialysis step to purify and desalt the PCR product was crucial to obtain a precise mass measurement. The PCR product (0.8 pmol/μL) was electrosprayed from a solution containing 75% acetonitrile, 25 mM piperidine, and 25 mM imidazole and was infused at a rate of 200 nL/min. The average molecular mass and the corresponding precision were determined using the charge-states ranging from 172 to 235 net negative charges. The experimental mass and corresponding precision (reported as the 95% confidence interval of the mean) was 309 406 +/- 27 Da (87 ppm). The mass accuracy was compromised due to the fact that the PCR generates multiple products when using Taq polymerase due to the non-template directed 3'-adenylation. This results in a mixture of three PCR products with nearly identical mass (i.e. blunt-ended, mono-adenylated and di-adenylated) with unknown relative abundances that were not resolved in the spectrum. Thus, the experimental mass will be a weighted average of the three species which, under our experimental conditions, reflects a nearly equal concentration of the mono- and di-adenylated species. This report demonstrates that precise mass measurements of PCR products up to 309 kDa (500 bp) can be routinely obtained by ESI-FTICR requiring low femtomole amounts. Copyright 1999 John Wiley & Sons, Ltd.     

An alternating direction scheme on a nonuniform mesh for reaction-diffusion parabolic problems

In this paper we develop a numerical method for two-dimensionaltime-dependent reaction-diffusion problems. This method, whichcan immediately be generalized to higher dimensions, is shownto be uniformly convergent with respect to the diffusion problems.This method, which can immediately be generalized to higherdimensions, is shown to be uniformly convergent with respectto the diffusion parameter.     

Three-dimensional characterization of multiply twinned nanoparticles by high-angle tilt series of lattice images and tomography

A new electron tomography methodology is presented which allows the reconstruction of external particle shape from lattice resolved high-resolution electron microscopy images. The technique is based on the shape-from-silhouette binary backprojection algorithm after filtering of the lattice contrast. The simultaneous availability of particle shape and crystallographic lattice plane orientations allows the correlation of faceting with crystallographic orientations. The method is demonstrated using a multiply twinned decahedral gold nanoparticle. Eligibility limits in terms of degree of convexity are derived.