Neon scattering off Sodium clusters at finite temperatures

We present findings from computer simulations of collisions of neon atomic beams with Na20 atomic clusters at different internal temperatures. A functional form for the double differential cross section is determined, and no simple signature of a phase transition is seen, even though the clusters undergo a melting phase transition in the temperature range investigated (100 K–400 K). However, such experiments can be used effectively to measure the internal cluster temperature.     

Decomposition Methods for Differentiable Optimization Problems over Cartesian Product Sets

This paper presents a unified analysis of decomposition algorithms for continuously differentiable optimization problems defined on Cartesian products of convex feasible sets. The decomposition algorithms are analyzed using the framework of cost approx imation algorithms. A convergence analysis is made for three decomposition algorithms: a sequential algorithm which extends the classical Gauss-Seidel scheme, a synchronized parallel algorithm which extends the Jacobi method, and a partially asynchronous parallel algorithm. The analysis validates inexact computations in both the subproblem and line search phases, and includes convergence rate results. The range of feasible step lengths within each algorithm is shown to have a direct correspondence to the increasing degree of parallelism and asynchronism, and the resulting usage of more outdated information in the algorithms.     

Partial structure elucidation of the most abundant octa and nonachlorotoxaphene congeners in marine mammals by using conventional electron ionization mass spectrometry and mass spectrometry/mass spectrometry

Summary Conventional electron ionization (EI) mass spectrometry (MS) and MS/MS techniques were applied to the analysis of two abundant octa and nonachlorobornanes isolated from seals of the Baltic sea and originating from technical toxaphene. The exact sterical structures of the two compounds were previously determined using nuclear magnetic resonance (NMR) spectroscopy by two independent research groups. The MS and MS/MS data generated in this study allowed partial structure elucidation of these polychlorobornanes, in particular revealing the distribution of the Cl substituents between the six-membered carbon ring, the bridge and the bridgehead in the parent bornane structure. Fragmentation of the six-membered carbon ring and the bridge by retro-Diels-Alder (RDA) and related mechanisms was discovered by studying specific parent/daughter ion transitions. The detailed fragmentation pathways formulated may be applicable to the structure elucidation of other toxaphene congeners and the monitoring of strategic transitions is highly selective for the detection of these compounds in technical toxaphene and in environmental samples.     

Convective Heat Transfer past Small Cylindrical Bodies

Convective heat transfer from an array of small, cylindrical bodies of arbitrary shape in an unbounded, two-dimensional domain is a singular perturbation problem involving an infinite logarithmic expansion in the small parameter ε, representing the order of magnitude of the size of the bodies. Using the method of matched asymptotic expansions, we formulate a hybrid asymptotic-numerical method to solve for the dimensionless, steady-state temperature. We assume that the velocity field of the fluid surrounding the bodies is arbitrary but known. From our asymptotic solution for an arbitrary velocity field, we present the results for two special cases: a uniform flow field and a simple shear flow field. We demonstrate the asymptotic results of the hybrid method through a number of examples and, in a particular case, we compare these results to an exact analytical solution.     

Subgroup separable free products with cyclic amalgamation

Using topological methods we give a proof that the free product of two strict subgroup separable groups with infinite cyclic amalgamation is subgroup separable.     

Degradative chain transfer in vinyl acetate polymerizations using toluene as solvent

In this work, we propose that retardation in vinyl acetate polymerization rate in the presence of toluene is due to degradative chain transfer. The transfer constant to toluene (C_trs) determined using the Mayo method is equal to 3.8 × 10^?3, which is remarkably similar to the value calculated from the rate data, assuming degradative chain transfer (2.7 × 10^?3). Simulations, including chain‐length‐dependent termination, were carried out to compare our degradative chain transfer model with experimental results. The conversion–time profiles showed excellent agreement between experiment and simulation. Good agreement was found for the M_n data as a function of conversion. The experimental and simulation data strongly support the postulate that degradative chain transfer is the dominant kinetic mechanism. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3620–3625, 2007