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.     

Optimization of the locations of the loudspeaker and absorption material in a small room

The sound field both in the loudspeaker box and in the room is calculated by an analytical solution of three-dimensional wave equation. It is shown in theory that the amplitude response in small rooms is affected by the following positions: driver position on the front panel of the box, box position in the room, absorption material position in the box and absorption material position on the interior walls of the room. Both our computer prediction and experiments prove that the optimum positions are beneficial to the amplitude response.     

Standardization of Methods for Characterizing the Surface Geometry of Solids

Since a comprehensive survey published in 1999 [1] much work was done in standardizing measuring methods to characterize the surface geometry of dispersed and/or porous solids and to certify reference materials. The present paper is an extension of a short communication [2]. It gives a survey on existing standards and reports on new drafts and proposals.     

Convergence of Computational Methods and Stability of Self-Balanced Stresses under Shrinkage of Spherical Inclusions of a Damageable Material

Some iterative methods for calculating self-balanced stresses under shrinkage of a ball inclusion enclosed in a spherical matrix of a physically nonlinear damageable material. The stability of this system was studied using methods of catastrophe theory. It has been established that the beginning of divergence of the proposed iterative processes coincides with the moment of transition of the system to an unstable position of equilibrium.     

Macrodefect-Free Materials: Modification of Interfaces in Cement Composites by Polymer Grafting

MDF materials are chemically bonded ceramic materials free of the macrodefects typical of hydraulic cement-based materials. MDF materials arising through reactions of sulfo-aluminate-ferrite belitic (SAFB) clinkers and/or Portland cements (PC) with two types of water-soluble polymer (hydroxy-propylmethyl cellulose {HPMC}, polyphosphate glass {poly-P}) are discussed. Mixes of low energy SAFB clinkers with Portland cement, HPMC and, especially poly-P comprise promising cross-linked compositions additional to the better known MDF materials formed from high alumina cement with polyvinylalcohol/acetate. The principles of co-ordination of P and C atoms (of the polymer) with Al and Fe atoms (originating from the cement) are highlighted from spectroscopic information on next-nearest-neighbour interactions, along with the effects of second co-ordination spheres. Polymers modify the interface through functional bonding/grafting of polymer chains onto the surfaces of cement grains. Both the cross-linked atomic structure and the interface coincide well with the model of functional polymers and represent a new type of atomic-level structure in polymer-modified cements. Interpretation is based on previous magnetic resonance and thermal analysis studies. The compactness of Al(Fe)-O-P cross-links reduces transport through the interfaces, increasing the interfacial interactions and resisting the unfavourable uptake of moisture and carbonation.     

Multibody dynamics of aircraft occupants seated behind interior walls

To improve aircraft crash safety, conditions critical to occupants survival during a crash must be known. In view of the importance of this problem, studies of post-crash dynamic behavior of victims are necessary in order to reduce severe injuries. In this study, crash dynamics program SOM-LA/TA, incorporating a dynamic model of the human body with a finite element model of the seat structure was used. Modifications were performed in the program for reconstruction of an occupant's head impact with the interior walls or bulkhead. A viscoelastic-type contact force model was used to represent the compliance characteristics of the bulkhead. Correlated studies of analytical simulations with impact sled test results were accomplished. A parametric study of the coefficients in the contact force model was then performed in order to obtain the correlations between the coefficients and the Head Injury Criteria. A measure of optimal values for the bulkhead compliance and displacement requirements was thus achieved in order to keep the possibility of a head injury as little as possible. This information could in turn be used in the selection of suitable materials for the bulkhead, instrument panel, or interior walls of an aircraft.     

A rigid graph for every set

A graph G is called rigid if the identical mapping V(G)→V(G) is the only homomorphism G→G. In this note we give a simple construction of a rigid oriented graph on every set. © 2002 John Wiley & Sons, Inc. J Graph Theory 39: 108–110, 2002     

On acoustic and electric waves diffraction in piezoelectric medium by a permeable half-plane crack

The problem of electric and acoustic waves diffraction by a half-plane crack in a transversal isotropic piezoelectric medium is investigated. The crack is assumed to be electric permeable and free of tractions. The so-called “quasi-hyperbolic approximation” [15] is adopted. Applying Laplace transformations and Wiener–Hopf technique a closed form solution is obtained. By the means of Cagniard–de Hoop method a detailed dynamic full electroacoustic wavefield’s investigation is conducted. Mode conversion between electric and acoustic waves, effect of electroacoustic head wave, Bleustein–Gulyaev surface wave and the wavefield structure depending on the type of the incident wave (acoustic or electric) and its angle of incidence are analyzed in details. The dynamic field intensity factors at the crack tip depending on the angle of incidence and on time are derived explicitly. Numerical analysis is presented.     

Hydrothermal synthesis of FeS2 for lithium batteries

Nanocrystalline FeS₂ cathode material of lithium cell was synthesized from cheap materials of FeSO₄, Na₂S₂O₃, and sulfur by a hydrothermal process. The scanning electron microscopy analysis showed the obtained material was nano-sized, about 500 nm. The X-ray powder diffraction analysis showed that the synthetic FeS₂ material had two phases of the crystalline structure, pyrite and marcasite. The phase of marcasite seems to have no negative effect on the electrochemical performance of the material. The synthetic FeS₂ showed a significant improvement of electrochemical performance for Li/FeS₂ cells.