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.     

On the genericity of chaos

Let M be a compact manifold with dimM?2. We prove that some iteration of the generic homeomorphism on M is semiconjugated to the shift map and has infinite topological entropy (Theorem 1.1).     

Prospective and retrospective analyses under logistic regression models

In logistic case-control studies, Prentice and Pyke (Biometrika 66 (1979) 403-411) showed that valid point estimators of the odds-ratio parameters and their standard errors may be obtained by fitting the prospective logistic regression model to case-control data. Wang and Carroll (Biometrika 80 (1993) 237-241; J. Statist. Plann. Inference 43 (1995) 331-340) generalized Prentice and Pyke's (Biometrika 66 (1979) 403-411) results to robust logistic case-control studies. In this paper, we extend the results of Prentice and Pyke (Biometrika 66 (1979) 403-411) and Wang and Carroll (Biometrika 80 (1993) 237-241; J. Statist. Plann. Inference 43 (1995) 331-340) to a class of statistics and a class of unbiased estimating equations. We present some results on simulation and on the analysis of two real datasets.     

Tropical Weyl Group Action via Point Configurations and τ-Functions of the q-Painlevé Equations

Starting from certain point sets in the projective plane, we construct a tropical (or subtraction-free birational) representation of Weyl groups over the field of τ-functions. In particular, our construction includes E ₈ ⁽¹⁾ , E ₇ ⁽¹⁾ , E ₆ ⁽¹⁾ and D ₅ ⁽¹⁾ as affine cases; each of them gives rise to the q-difference Painlevé equation.     

Algorithms for finding connected separators between antipodal points

A set (or a collection of sets) contained in the Euclidean space Rm is symmetric if it is invariant under the antipodal map. Given a symmetric unicoherent polyhedron X (like an n-dimensional cube or a sphere) and an odd real function f defined on vertices of a certain symmetric triangulation of X, we algorithmically construct a connected symmetric separator of X by choosing a subcollection of the triangulation. Each element of the subcollection contains the vertices v and u such that f(v)f(u)?0.     

A Note on Log-Convexity of q-Catalan Numbers

The q-Catalan numbers studied by Carlitz and Riordan are polynomials in q with nonnegative coefficients. They evaluate, at q = 1, to the Catalan numbers: 1, 1, 2, 5, 14,…, a log-convex sequence. We use a combinatorial interpretation of these polynomials to prove a q-log-convexity result. The sequence of q-Catalan numbers is not q-log-convex in the narrow sense used by other authors, so our work suggests a more flexible definition of q-log convex be adopted. Received January 2, 2007     

Separable subgroups of mapping class groups

We investigate separability questions for the mapping class group of a surface. While this group is not subgroup separable in general, we prove a large family of interesting subgroups are separable. This includes many classically studied subgroups such as solvable subgroups, Heegaard and Handlebody groups, geometric subgroups, and all the terms in the Johnson filtration.     

Symmetric incidence groupoids

In [7] point-reflection geometries were studied which can be derived from commutative kinematic spaces without involutory elements. But the class of point-reflection geometries is larger. For example, elliptic planes with their reflections cannot be derived from commutative kinematic spaces. Here we investigate a larger class of reflection geometries.This paper was sponsored by Vigoni Program 1999.     

Multiple harmonic series related to multiple Euler numbers

In this paper, we define the multiple Euler numbers and consider some multiple harmonic series of Mordell-Tornheim's type, which is a partial sum of the Mordell-Tornheim zeta series defined by Matsumoto. Indeed, we prove a certain reducibility of these series as well as the multiple zeta values.