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.     

Positive solutions and eigenvalue regions of two-delay singular systems with a twin parameter

The paper is concerned with a two-delay singular differential system with a twin parameter. Applying fixed-point index theory, we show the relationship between the asymptotic behaviors of nonlinearities (at zero and infinity) and the open regions (eigenvalue regions) of parameters, which are correlated with delays, such that the system has zero, one and two positive solution(s).     

A study of the effect of ZrO2 on the magnetic properties of FePt/ZrO2 multilayer

Fe_xPt_100−x(30 nm) and [Fe_xPt_100−x(3 nm)/ZrO₂]₁₀ (x = 37, 48, 57, 63, 69) films with different ZrO₂ content were prepared by RF magnetron sputtering technique, then were annealed at 550 °C for 30 min. This work investigates the effect of ZrO₂ doping on the microstructural evolution, magnetic properties, grain size, as well as the ordering kinetics of FePt alloy films. The as-deposited films behaved a disordered state, and the ordered L1₀ structure was obtained by post-annealing. The magnetic properties of the films are changed from soft magnetism to hard magnetism after annealing. The variation of the largest coercivities of [Fe_xPt_100−x/ZrO₂]₁₀ films with the Fe atomic percentage, x and differing amounts of ZrO₂ content reveals that as we increase the ZrO₂ content we must correspondingly increase the amount of Fe. This phenomenon suggests that the Zr or O atoms of ZrO₂ preferentially react with the Fe atoms of FePt alloy to form compounds. In addition, introducing the nonmagnetic ZrO₂ can reduce the intergrain exchange interactions of the FePt/ZrO₂ films, and the interactions are decreased as the ZrO₂ content increases, the dipole interactions are observed in FePt/ZrO₂ films as the ZrO₂ content is more than 15%.     

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).     

On dimensional rigidity of bar-and-joint frameworks

Let V={1,2,…,n}. A mapping p:V→R^r, where p¹,…,pⁿ are not contained in a proper hyper-plane is called an r-configuration. Let G=(V,E) be a simple connected graph on n vertices. Then an r-configuration p together with graph G, where adjacent vertices of G are constrained to stay the same distance apart, is called a bar-and-joint framework (or a framework) in R^r, and is denoted by G(p). In this paper we introduce the notion of dimensional rigidity of frameworks, and we study the problem of determining whether or not a given G(p) is dimensionally rigid. A given framework G(p) in R^r is said to be dimensionally rigid iff there does not exist a framework G(q) in R^s for s?r+1, such that ∥qⁱ-q^j∥²=∥pⁱ-p^j∥² for all (i,j)∈E. We present necessary and sufficient conditions for G(p) to be dimensionally rigid, and we formulate the problem of checking the validity of these conditions as a semidefinite programming (SDP) problem. The case where the points p¹,…,pⁿ of the given r-configuration are in general position, is also investigated.     

The minimum span of L(2,1)-labelings of certain generalized Petersen graphs

In the classical channel assignment problem, transmitters that are sufficiently close together are assigned transmission frequencies that differ by prescribed amounts, with the goal of minimizing the span of frequencies required. This problem can be modeled through the use of an L(2,1)-labeling, which is a function f from the vertex set of a graph G to the non-negative integers such that |f(x)-f(y)|? 2 if xand y are adjacent vertices and |f(x)-f(y)|?1 if xand y are at distance two. The goal is to determine the λ-number of G, which is defined as the minimum span over all L(2,1)-labelings of G, or equivalently, the smallest number k such that G has an L(2,1)-labeling using integers from {0,1,…,k}. Recent work has focused on determining the λ-number of generalized Petersen graphs (GPGs) of order n. This paper provides exact values for the λ-numbers of GPGs of orders 5, 7, and 8, closing all remaining open cases for orders at most 8. It is also shown that there are no GPGs of order 4, 5, 8, or 11 with λ-number exactly equal to the known lower bound of 5, however, a construction is provided to obtain examples of GPGs with λ-number 5 for all other orders. This paper also provides an upper bound for the number of distinct isomorphism classes for GPGs of any given order. Finally, the exact values for the λ-number of n-stars, a subclass of the GPGs inspired by the classical Petersen graph, are also determined. These generalized stars have a useful representation on Möebius strips, which is fundamental in verifying our results.     

On the third largest Laplacian eigenvalue of a graph

In this article, a sharp lower bound for the third largest Laplacian eigenvalue of a graph is given in terms of the third largest degree of the graph.     

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.