Molecular dynamics simulations on the structures and properties of ε-CL-20-based PBXs ——Primary theoretical studies on HEDM formulation design

Five polymer bonded explosives (PBXs) with the base explosive ε-CL-20 (hexanitrohexaazaisowurtzi- tane), the most important high energy density compound (HEDC), and five polymer binders (Estane 5703, GAP, HTPB, PEG, and F2314) were constructed. Molecular dynamics (MD) method was employed to investigate their binding energies (Ebind), compatibility, safety, mechanical properties, and energetic properties. The information and rules were reported for choosing better binders and guiding formula- tion design of high energy density material (HEDM). According to the calculated binding energies, the ordering of compatibility and stability of the five PBXs was predicted as ε-CL-20/PEG > ε-CL-20/ Estane5703 ≈ε-CL-20/GAP > ε-CL-20/HTPB > ε-CL-20/F2314. By pair correlation function g(r) analyses, hydrogen bonds and vdw are found to be the main interactions between the two components. The elasticity and isotropy of PBXs based ε-CL-20 can be obviously improved more than pure ε-CL-20 crystal. It is not by changing the molecular structures of ε-CL-20 for each binder to affect the sensitivity. The safety and energetic properties of these PBXs are mainly influenced by the thermal capability (C°p) and density (ρ) of binders, respectively.     

A graphical approach to computing Selmer groups of congruent number curves

Let E _n:y ²=x ³−n ² x denote the family of congruent number elliptic curves. Feng and Xiong (2004) equate the nontriviality of the Selmer groups associated with E _n to the presence of certain types of partitions of graphs associated with the prime factorization of n. In this paper, we extend the ideas of Feng and Xiong in order to compute the Selmer groups of E _n. 2000 Mathematics Subject Classification Primary—11G05; Secondary—14H52, 14H25, 05C90     

Some conformally flat spin manifolds, Dirac operators and automorphic forms

In this paper we study Clifford and harmonic analysis on some examples of conformal flat manifolds that have a spinor structure, or more generally, at least a pin structure. The examples treated here are manifolds that can be parametrized by U/Γ where U is a subdomain of either Sn or Rn and Γ is a Kleinian group acting discontinuously on U. The examples studied here include RPn and the Hopf manifolds S¹×Sn−1. Also some hyperbolic manifolds will be treated. Special kinds of Clifford-analytic automorphic forms associated to the different choices of Γ are used to construct explicit Cauchy kernels, Cauchy integral formulas, Green's kernels and formulas together with Hardy spaces and Plemelj projection operators for Lp spaces of hypersurfaces lying in these manifolds.     

Self‐curable polyester by a reaction of glycidol with maleic anhydride

The controlled reaction of equimolar quantities of maleic anhydride and glycidol in dimethoxyethane gives soluble polyesters with one hydroxyl group in each repeating unit. The reaction proceeds with stepwise ring opening of the components and gives highly viscous clear solutions in relatively short periods. In the first step, monomaleate ester formation takes place around 80 °C. The ring opening of the oxirane group is the second step, and it occurs at 120 °C. The overall reaction is the formation of soluble polyesters with moderate molecular weights (6000–18,000), without the elimination of water. The soluble polyesters can be crosslinked tightly by direct heating at 190 °C without additional vinyl monomer. © 2003 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 41: 2549–2555, 2003     

Recognition of the Finite Simple Groups F 4(2m) by Spectrum

The spectrum of a finite group is the set of its element orders. A finite group G is said to be recognizable by spectrum, if every finite group with the same spectrum as G is isomorphic to G. The purpose of the paper is to prove that for every natural m the finite simple Chevalley group F ₄(2 ^m ) is recognizable by spectrum.     

Computations of critical groups and applications to asymptotically linear wave equation and beam equation

In this paper, by using the Morse index theory for strongly indefinite functionals developed in [Nonlinear Anal. TMA, in press], we compute precisely the critical groups at the origin and at infinity, respectively. The abstract theorems are used to study the existence (multiplicity) of nontrivial periodical solutions for asymptotically wave equation and beam equation with resonance both at infinity and at zero.     

The Hopf Property for Subgroups of Hyperbolic Groups

A group is said to be Hopfian if every surjective endomorphism of the group is injective. We show that finitely generated subgroups of torsion-free hyperbolic groups are Hopfian. Our proof generalizes a theorem of Sela (Topology 35 (2) 1999, 301–321).     

Group classification of unsteady boundary layer equations of a class of non-Newtonian fluids

Two dimensional unsteady boundary layer equations of a general model of non-Newtonian fluids were investigated in this study. In this model, the shear stress is taken as an arbitrary function of the velocity gradient. Group classification of the equations with respect to shear stress is done using two different approaches: (1) classical theory (2) equivalence transformations. Both approaches yield identical results. It is found that the principle Lie Algebra extends only for cases of Newtonian and Power-Law flows.     

Effects of Polymer Bridging and Electrostatics on the Rheological Behavior of Aqueous Colloidal Dispersions†

Effects of a low molecular weight physically adsorbed polyethylene oxide (PEO) and the range of the electrostatic repulsion on the rheological behavior of silica dispersions (as a model system) has been investigated. Particular attention is given to the evolution of the rheological behavior with increasing the polymer concentration in the system and also effectiveness of the polymer as a dispersant under extreme conditions (high ionic strength). Results indicate that at small separation distances and low polymer coverage, the polymer chains are long enough to adsorb on the surface of two particles simultaneously causing bridging flocculation in the system and hence increasing the viscosity and linear viscoelastic functions of the dispersion. A significant increase was observed in the viscosity of the dispersion at salt concentrations high enough to eliminate electrostatics between the particles. Under these conditions,the viscosity of the system increased significantly when PEO was added to the dispersion showing that at high electrolyte concentrations, a neutral polymer such as PEO is not able to stabilize the system.     

Mathematical topographical correction of XPS images using multivariate statistical methods

For rough heterogeneous samples, the contrast observed in XPS images may result from both changes in elemental or chemical composition and sample topography. Background image acquisition and subtraction are frequently utilized to minimize topographical effects so that images represent concentration variations in the sample. This procedure may significantly increase the data acquisition time. Multivariate statistical methods can assist in resolving topographical and chemical information from multispectral XPS images. Principal component analysis (PCA) is one method for identification of the highest correlation/variation between the images. Topography, which is common to all of the images, will be resolved in the first most significant component. The score of this component contains spatial information about the topography of the surface, whereas the loading is a quantitative representation of the topography contribution to each elemental/chemical image. The simple‐to‐use self‐modelling mixture analysis (Simplisma) method is a pure variable method that searches for the source of most differences in the data and therefore has the potential to distinguish between chemical and topographical phases in images. The mathematical background correction scheme is developed and validated by comparing results to the experimental background correction for samples with differing degrees of topography. Copyright © 2004 John Wiley & Sons, Ltd.