Investigations on the balloon as an impulse source

Measurements of impulses produced by bursting balloons are presented. Various sizes of balloons were popped with a mechanical device in an anechoic chamber and recorded with a spherical microphone array. The power responses and directivity of the balloons are analyzed. Results indicate that power responses have two emphasized frequencies which depend on balloon size and inflation level. Larger balloons radiated more energy and higher inflation levels resulted in stronger high frequency content. Balloon directivity patterns are stable over repetitions. However, balloons do not radiate omnidirectionally. The degree of omnidirectionality improves with balloon size and for midrange frequencies.     

Focusing effect of a graded index photonic crystal lens

We present a new graded-index photonic crystal (GRIN PhC) structure which can be made by laser interference lithography (LIL). It can be applied as miniaturized focusing lens. Numerical simulations are carried out on the structures with different widths, lengths, and modulations. In the qualitative analysis of the focal length, focusing of a GRIN PhC was proved to originate from both the graded sizes of the rods and multimode interference. Multimode interference dominates the focusing effect when a GRIN PhC has a small length or a small difference in the rod sizes. Intensity distributions in different cases were given to support the conclusion.     

Slopes of Kantorovich potentials and existence of optimal transport maps in metric measure spaces

We study optimal transportation with the quadratic cost function in geodesic metric spaces satisfying suitable non-branching assumptions. We introduce and study the notions of slope along curves and along geodesics, and we apply the latter to prove suitable generalizations of Brenier’s theorem of existence of optimal maps.     

New methods for calculating \alpha BB-type underestimators

Most branch-and-bound algorithms in global optimization depend on convex underestimators to calculate lower bounds of a minimization objective function. The $\alpha $ BB methodology produces such underestimators for sufficiently smooth functions by analyzing interval Hessian approximations. Several methods to rigorously determine the $\alpha $ BB parameters have been proposed, varying in tightness and computational complexity. We present new polynomial-time methods and compare their properties to existing approaches. The new methods are based on classical eigenvalue bounds from linear algebra and a more recent result on interval matrices. We show how parameters can be optimized with respect to the average underestimation error, in addition to the maximum error commonly used in $\alpha $ BB methods. Numerical comparisons are made, based on test functions and a set of randomly generated interval Hessians. The paper shows the relative strengths of the methods, and proves exact results where one method dominates another.     

Non-branching geodesics and optimal maps in strong CD(K,\infty )-spaces

We prove that in metric measure spaces where the entropy functional is \(K\) -convex along every Wasserstein geodesic any optimal transport between two absolutely continuous measures with finite second moments lives on a non-branching set of geodesics. As a corollary we obtain that in these spaces there exists only one optimal transport plan between any two absolutely continuous measures with finite second moments and this plan is given by a map. The results are applicable in metric measure spaces having Riemannian Ricci curvature bounded below, and in particular they hold also for Gromov-Hausdorff limits of Riemannian manifolds with Ricci curvature bounded from below by some constant.     

Models for thermal dissociation of silane on a polysilicon surface

Simple models for the thermally activated dissociation reaction of silane and silicon growth on a polycrystalline silicon surface are presented. The models are fitted to recent experimental molecular beam scattering data for the low-pressure reactive sticking coefficient. Thermally activated few-step models fit the data reasonably well, and thus, we are able to explain the temperature and pressure dependencies of the observed deposition rate.     

Fluctuating lattice-Boltzmann model for complex fluids

We develop and test numerically a lattice-Boltzmann (LB) model for nonideal fluids that incorporates thermal fluctuations. The fluid model is a momentum-conserving thermostat, for which we demonstrate how the temperature can be made equal at all length scales present in the system by having noise both locally in the stress tensor and by shaking the whole system in accord with the local temperature. The validity of the model is extended to a broad range of sound velocities. Our model features a consistent coupling scheme between the fluid and solid molecular dynamics objects, allowing us to use the LB fluid as a heat bath for solutes evolving in time without external Langevin noise added to the solute. This property expands the applicability of LB models to dense, strongly correlated systems with thermal fluctuations and potentially nonideal equations of state. Tests on the fluid itself and on static and dynamic properties of a coarse-grained polymer chain under strong hydrodynamic interactions are used to benchmark the model. The model produces results for single-chain diffusion that are in quantitative agreement with theory.     

Hydrophobicity within the three-dimensional Mercedes-Benz model: potential of mean force

We use the three-dimensional Mercedes-Benz model for water and Monte Carlo simulations to study the structure and thermodynamics of the hydrophobic interaction. Radial distribution functions are used to classify different cases of the interaction, namely, contact configurations, solvent separated configurations, and desolvation configurations. The temperature dependence of these cases is shown to be in qualitative agreement with atomistic models of water. In particular, while the energy for the formation of contact configurations is favored by entropy, its strengthening with increasing temperature is accounted for by enthalpy. This is consistent with our simulated heat capacity. An important feature of the model is that it can be used to account for well-converged thermodynamics quantities, e.g., the heat capacity of transfer. Microscopic mechanisms for the temperature dependence of the hydrophobic interaction are discussed at the molecular level based on the conceptual simplicity of the model.     

HXeOBr in a xenon matrix

We report on a new noble-gas molecule HXeOBr prepared in a low-temperature xenon matrix from the HBr and N(2)O precursors by UV photolysis and thermal annealing. This molecule is assigned with the help of deuteration experiments and ab initio calculations including anharmonic methods. The H-Xe stretching frequency of HXeOBr is observed at 1634 cm(-1), which is larger by 56 cm(-1) than the frequency of HXeOH identified previously. The experiments show a higher thermal stability of HXeOBr molecules in a xenon matrix compared to HXeOH.     

Feasibility of a liquid-phase microextraction sample clean-up and liquid chromatographic/mass spectrometric screening method for selected anabolic steroid glucuronides in biological samples

Anabolic androgenic steroids (AAS) are metabolized extensively in the human body, resulting mainly in the formation of glucuronide conjugates. Current detection methods for AAS are based on gas chromatographic/mass spectrometric (GC/MS) analysis of the hydrolyzed steroid aglycones. These analyses require laborious sample preparation steps and are therefore time consuming. Our interest was to develop a rapid and straightforward method for intact steroid glucuronides in biological samples, using liquid-phase microextraction (LPME) sample clean-up and concentration method combined with liquid chromatographic/tandem mass spectrometric (LC/MS/MS) analysis. The applicability of LPME was optimized for 13 steroid glucuronides, and compared with conventional liquid-liquid extraction (LLE) and solid-phase extraction (SPE) procedures. An LC/MS/MS method was developed for the quantitative detection of AAS glucuronides, using a deuterium-labeled steroid glucuronide as the internal standard. LPME, owing to its high specificity, was shown to be better suited than conventional LLE and SPE for the clean-up of urinary AAS glucuronides. The LPME/LC/MS/MS method was fast and reliable, offering acceptable reproducibility and linearity with detection limits in the range 2-20 ng ml(-1) for most of the selected AAS glucuronides. The method was successfully applied to in vitro metabolic studies, and also tested with an authentic forensic urine sample. For a urine matrix the method still has some unsolved problems with specificity, which should be overcome before the method can be reliably used for doping analysis, but still offering additional and complementary data for current GC/MS analyses.