Crystal structure of methyl acrylate

Methyl acrylate, CH₂CHCOOCH₃, has been crystallized, and x-ray data have been collected at ?120°C. The crystals are orthorhombic, space group Pnma, with four molecules in the unit cell. The structure has been determined by using symbolic addition procedures, and refined to a final residual R factor of 0.10. The molecule is planar, and the intramolecular bond distances and angles are in good agreement with values obtained for the liquid monomer by electron diffraction techniques. Considerations of crystal geometry indicate that the packing hardly permits dimerization or polymerization of the molecules in regions of crystal perfection.     

Intramolecular [4 + 1] pyrroline annulation approach to pyrrolizidine alkaloids. Formal total synthesis of (±)-supinidine.

Dienic azide $\text{7}$ was found to yield dehydropyrrolizidines $\text{10}$ and $\text{11}$ on thermolysis. The synthesis of these compounds is described and the mechanistic implications as well as synthetic utility of this new annulation sequence is discussed.     

Modelling of nonlinear effects and the response of ultrasound contrast micro bubbles: simulation and experiment

The propagation of diagnostic ultrasonic imaging pulses in tissue and their interaction with contrast micro bubbles is a very complex physical process, which we assumed to be separable into three stages: pulse propagation in tissue, the interaction of the pulse with the contrast bubble, and the propagation of the scattered echo. The model driven approach is used to gain better knowledge of the complex processes involved. A simplified way of field simulation is chosen due to the complexity of the task and the necessity to estimate comparative contributions of each component of the process. Simulations are targeted at myocardial perfusion estimation. A modified method for spatial superposition of attenuated waves enables simulations of low intensity pulse pressure fields from weakly focused transducers in a nonlinear, attenuating, and liquid-like biological medium. These assumptions enable the use of quasi-linear calculations of the acoustic field. The simulations of acoustic bubble response are carried out with the Rayleigh-Plesset equation with the addition of radiation damping. Theoretical simulations with synthesised and experimentally sampled pulses show that the interaction of the excitation pulses with the contrast bubbles is the main cause of nonlinear scattering, and a 2-3 dB increase of second harmonic amplitude depends on nonlinear distortions of the incident pulse.     

Strictly stable high order difference approximations for computational aeroacoustics

High order finite difference approximations with improved accuracy and stability properties have been developed for computational aeroacoustics (CAA). One of our new difference operators corresponds to Tam and Webb's DRP scheme in the interior, but is modified near the boundaries to be strictly stable. A unified formulation of the nonlinear and linearized Euler equations is used, which can be extended to the Navier–Stokes equations. The approach has been verified for 1D, 2D and axisymmetric test problems. We have simulated the sound propagation from a rocket launch before lift-off. To cite this article: B. Müller, S. Johansson, C. R. Mecanique 333 (2005).     

Smooth and rough turbulent boundary layers at high Reynolds number

A 2-D turbulent boundary layer experiment with zero pressure gradient (ZPG) has been carried out over a rough and a smooth surface using two cross hot-wire probes. Wind tunnel speeds of 10 m/s and 20 m/s were set up in order to investigate the effects of the upstream conditions and the Reynolds number on the downstream flow. For a given set of upstream conditions, such as the wind tunnel speed, trip wire size and location, the three components of the velocity field were measured from about 14 m from the inlet of the wind tunnel to 30 m downstream. This experiment is unique because it achieves Reynolds numbers as high as R120,000, for which measurements of the mean velocity are reported. It is shown that by fixing the upstream conditions, the mean deficit profiles collapse with the freestream velocity, , but to different curves depending on the upstream conditions and surface roughness. Moreover, the effects of the upstream conditions, the Reynolds number, and roughness are completely removed from the outer flow when the mean deficit profiles are normalized by the Zagarola/Smits scaling, . Consequently, the true asymptotic profile in the turbulent boundary layer is found in ZPG flow regardless of the range of Reynolds number, surface conditions and initial conditions.     

An experimental and theoretical study of converging polygonal shock waves

An experimental investigation was carried out to explore the possibility of producing converging polygonal shocks in an essentially two-dimensional cavity. Previous calculations by Apazidis and Lesser (1996) suggested that such configurations could be produced by reflecting a cylindrical outgoing shock from a smoothly altered circular boundary, the alteration having n-gonal symmetry. In the experiments the outgoing shock was produced by a spark discharge which yielded shocks in the Mach number range from 1.1 to 1.7 at a radius just prior to the reflection. Polygonal shocks were observed as predicted by using a modified form of geometrical shock dynamics, derived in the above paper. In addition, the modified theory was used to calculate the results of an experiment carried out by Sturtevant and Kulkarny (1976). The results of the numerical calculations were found to be in substantial agreement with both experiments, suggesting that the modifications in geometrical shock dynamics for non-uniform flow ahead of an advancing shock are useful in the case of shock focusing. The experiment also showed that the polygonal shapes were stable in the examined range of shock Mach numbers, a result that may be of importance for a number of practical situations in which shock focusing is present. Received 9 October 2001 / Accepted 7 January 2002 – Published online 11 June 2002     

Shannon information entropy for a hyperbolic double‐well potential

We use the ansatz method to obtain the symmetric and antisymmetric solutions of a hyperbolic double‐well potential by solving the Heun differential equation. The Shannon entropy is studied. The position S_x and momentum S_p information entropies for the low‐lying two states N = 1, 2 are calculated. Some interesting features of the information entropy densities ρ_s(x) and ρ_s(p) as well as the probability density ρ(x) are demonstrated. We find that ρ(x) is equal or greater than 1 at positions for the allowed potential‐depth values of U₀ = 595.84 (symmetric case) and U₀ = 1092.8 (antisymmetric case). This arises from the fact that most of the density is less than 1, the curve has to rise higher than 1 to have a total area of 1 as required for all probability distributions. We find that the position information entropy S_x decreases with the potential strength but the momentum entropy S_p is contrary to the S_x. The Bialynicki‐Birula–Mycielski inequality is also tested and found to hold for these cases. © 2015 Wiley Periodicals, Inc.