Test-based thermal explosion model for HMX

We present a thermal explosion (cookoff) model for an HMX-based plastic bonded explosive (LX-10). The thermal–chemical–mechanical response of LX-10 is modeled based on the measurements from the scaled thermal explosion experiment (STEX) at the Lawrence Livermore National Laboratory. Confined LX-10 is heated at a rate of 1 °C/h until an explosion is observed. The modeled cookoff problem is simulated by the Arbitrarily Lagrangian–Eulerian hydrocode (ALE3D) that can handle a wide spectrum of time scales that vary from a structural to a high speed shock physics time scale. In addition to a comprehensive model for energetic material, the confinement material namely an AerMet 100 steel is modeled as a Steinberg–Guinan material with a Johnson–Cook failure model with a statistical failure distribution. By using the size distribution data from the fragmentation experiment, the metal fracture and fragmentation due to an explosion are modeled. The explosion temperature is predicted to within 1°. Calculated wall strain provides violence associated with the thermal explosion process and agrees favorably with the measured STEX data.     

Experimental demonstration of a squeezing-enhanced power-recycled michelson interferometer for gravitational wave detection

Interferometric gravitational wave detectors are expected to be limited by shot noise at some frequencies. We experimentally demonstrate that a power recycled Michelson with squeezed light injected into the dark port can overcome this limit. An improvement in the signal-to-noise ratio of 2.3 dB is measured and locked stably for long periods of time. The configuration, control, and signal readout of our experiment are compatible with current gravitational wave detector designs. We consider the application of our system to long baseline interferometer designs such as LIGO.     

SCF molecular orbital studies of internal rotation in the monofluorobenzaldehydes

The potential function for internal rotation of the aldehyde group in the orthometa- and para-fluorobenzaldehydes is calculated by CNDO/2, INDO and STO/6G methods, assuming invariant bond lengths. The INDO and STO/6G calculations indicate the equilibrium geometry to be essentially planar and the barrier to internal rotation to be the potential energy of the molecule when the plane of the aldehyde group is perpendicular to the ring plane; CNDO/2 leads to different conclusions, however. Relative stabilities of O-cis and O-trans rotamers of the planar configuration are discussed. Comparisons are made with the V barriers and the enthalpies of activation as determined by the dielectric absorption method using a matrix technique.     

Electronic absorption spectroscopy of cooled supersonic expansions: dynamics of the 1B1u state of trans-butadiene

An ultraviolet absorption technique is developed for studying molecules cooled in a supersonic expansion. In this experiment, the temperature-dependent contribution to the diffuseness of electronically excited states is reduced for CS₂ and butadiene. The broadness of the spectral features of the butadiene ¹B_1u state is independent of temperature     

The ring-opening of an unsymmetrical tetrahedral intermediate - 2-hydroxy-1,3-oxathiolane

Ab initio calculations were performed on 2-hydroxy-1,3-oxathiolane: and the two products of its breakdown: Complete geometry optimizations were performed at minimal (STO-3G) and split-valence (3-21G) basis set levels. In addition, a single point calculation was performed at 6-31G* level withd orbitals added on sulfur only. The conformation of the oxathiolane intermediate and its stability relative to the breakdown products was investigated. The STO-3G basis set gave an envelope form while 3-21G gave the twist form of the five-membered ring as the most stable. For all three basis sets the ester product was more stable than thioester.