Kovasznay Mode Decomposition of Velocity-Temperature Correlation in Canonical Shock-Turbulence Interaction

The correlation coefficient R_uT between the streamwise velocity and temperature is investigated for the case of canonical shock-turbulence interaction, motivated by the fact that this correlation is an important component in compressible turbulence models. The variation of R_uT with the Mach number, the turbulent Mach number, and the Reynolds number is predicted using linear inviscid theory and compared to data from DNS. The contributions from the individual Kovasznay modes are quantified. At low Mach numbers, the peak post-shock R_uT is determined by the acoustic mode, which is correctly predicted by the linear theory. At high Mach numbers, it is determined primarily by the vorticity and entropy modes, which are strongly affected by nonlinear and viscous effects, and thus less well predicted by the linear theory.     

Thermodynamic fluctuations in canonical shock–turbulence interaction: effect of shock strength

In this work, we use numerical simulation and linear inviscid theory to study the thermodynamic field generated by the interaction of a shock wave with homogeneous isotropic turbulence. Fluctuations in density, pressure, temperature and entropy can play an important role in shock-induced mixing, combustion and energy transfer processes. Data from shock-captured direct numerical simulations (scDNS) are used to investigate the variation of thermodynamic fluctuations for varying shock strengths, and the results are compared with linear interaction analysis (LIA). The density, pressure and temperature variances attain large values at the shock, followed by, in general, a rapid decay in the downstream flow. The rapid variation behind the shock makes it difficult to compare numerical results with theoretical predictions. A threshold method based on instantaneous shock dilatation is used to overcome this problem, and it gives excellent match between scDNS and LIA. We find cases with non-monotonic variation with Mach number as well as local peaks in density fluctuations behind the shock. These are explained in terms of the contribution of the post-shock acoustic and entropy modes in the LIA solution and their cross-correlation. Budget of the transport equations reveals interesting insight into the physics governing the thermodynamic field behind the shock wave. It is found that the variances are primarily determined by the competing effects of dilatational and dissipation mechanisms. The dominant mechanisms are identified for a range of conditions, and their implication for developing predictive models is highlighted.     

Measurement of the Viscoelastic Properties of Bitumen Using Instrumented Spherical Indentation

Indentation testing as a tool for determination of the viscoelastic mechanical properties of bitumen is examined in some detail using theoretical, numerical as well as experimental methods. In particular Brinell indentation is analysed and simple but rigorous formulae for a complete characterization of linear viscoelastic materials are presented. Numerical methods (finite element methods) are used in order to verify and substantiate these relations for an experimental situation. Indentation experiments are then performed on bitumen and special efforts are made in order to avoid size effects, i. e. anomalous results due to the fact that the indented specimens are too small and as a result, far field boundary conditions will influence the interpretation of the experimental output. The mechanical properties determined experimentally by indentation are compared with corresponding results from standard mechanical tests, and the results are encouraging considering the fact that non-linear effects are also influencing the outcome of the experiments.     

On the sensitivity of the rate of global energy dissipation due to configurational changes

The thermodynamic framework for combined configurational and deformational changes was recently discussed by [Runesson, K., Larsson, F., Steinmann, P., 2009. On energetic changes due to configurational motion of standard continua. Int. J. Solids Struct, 46, 1464–1475.]. One key ingredient in this setting is the (fixed) absolute configuration, relative to which both physical and virtual (variational) changes of the material and spatial configurations can be described. In the present paper we consider dissipative material response and emphasize the fact that it is possible to identify explicit energetic changes due to configurational changes for “frozen” spatial configuration (a classical view) and the configuration-induced material dissipation. The classical assumption (previously adopted in the literature) is to ignore this dissipation, i.e. the internal variables are considered as fixed fields in the material configuration. In this paper, however, we define configurational forces by considering the total variation of the total dissipation with respect to configurational changes. The key task is then to compute the sensitivity of the internal variable rates to such configurational changes, which results in a global tangent problem based on the balance equations (momentum and energy) for a given body. In this paper we restrict to quasistatic loading under isothermal conditions and for elastic-plastic response, and we apply the modeling to the case of a moving interface of dissimilar materials.     

On indentation and initiation of fracture in glass

The influence of indenter elasticity on Hertzian fracture initiation at frictional dissimilar elastic contact has been examined experimentally and numerically. In flat float glass specimens initiation of cone cracks has been observed and fracture loads measured with steel and tungsten carbide indenters at monotonically increasing loading and during a load cycle. The observed effect of indenter elasticity on fracture loads was found to be qualitatively different from the one predicted by the Hertz contact theory. This discrepancy may be explained by the presence of interfacial friction. The friction coefficient between the indenters and the specimen was measured and a contact cycle at finite Coulomb friction has been analyzed numerically. The influence of the indenter elasticity and the friction coefficient on the surface maximum tensile stress has been investigated and the results concerning the influence of these parameters on the fracture loads as given based on a critical stress fracture criterion. The obtained computational results were found to be in better agreement with experimental findings as compared to the predictions based on the frictionless contact theory. A remaining quantitative discrepancy was attributed to the well-known fact that a Hertzian macro-crack initiates from pre-existing defects on the specimen’s surface. In order to account for the influence of the random distribution of these defects a Weibull statistics was introduced. The predicted critical loads corresponding to the 50% failure probability were found to be in close agreement with experimentally observed ones.     

Exploring the potential energy surface of retinal, a comparison of the performance of different methods

The ground state structure of retinal has been investigated. We found that DFT and CASSCF produce different results for the bond length alternation in a model system of retinal. Quantum mechanics/molecular mechanics calculations including the closest surrounding amino acids have been performed, using DFT and CASSCF to calculate the structure of retinal in the protein cavity. The planarity of the retinal molecule is affected by the surrounding protein. DFT and CASSCF produce different twist angles. The difference between CASSCF and DFT appears to be related to the positively charged nitrogen of the Schiff base, which leads to different pi-bond orders produced by the two methods.     

Analysis of NMR J couplings in partially protected galactopyranosides

[carbohydrate structure: see text] Hydrogen bond mediated NMR J couplings offer additional structural information. The interpretation of these usually small (h)J couplings are, however, not necessarily straightforward. In the present case of a carbohydrate system, a four-bond classical W coupling, (4)J(HO4,H5), is more reasonable on the basis of, in particular, density functional theory calculations of spin-spin coupling constants at the UB3LYP/6-311G** level of theory.     

Quasi-deformations of sl2 (F) with base ℝ[t,t −1]

In this paper we construct quasi-deformations of sl₂(?) with the Laurent polynomials over the reals as base algebra and general vector fields for sl₂(?) in the base of the quasideformation.     

Semiconductor nanowires for novel one-dimensional devices

Low-dimensional semiconductors offer interesting physical phenomena but also the possibility to realize novel types of devices based on, for instance, 1D structures. By using traditional top-down fabrication methods the performance of devices is often limited by the quality of the processed device structures. In many cases damage makes ultra-small devices unusable. In this work we present a recently developed method for bottom-up fabrication of epitaxially nucleated semiconductor nanowires based on metallic nanoparticle-induced formation of self-assembled nanowires. Further development of the vapor–liquid–solid growth method have made it possible to control not only the dimension and position of nanowires but also to control heterostructures formed inside the nanowires. Based on these techniques we have realized a series of transport devices such as resonant tunneling and single-electron transistors but also optically active single quantum dots positioned inside nanowires displaying sharp emission characteristics due to excitons.     

Structure of the starch granule--a curved crystal

A structure model of the molecular arrangement in native starch proposed earlier is further considered, with special regard to the lateral packing of cluster units. The amylopectin molecules are radially distributed, with branches concentrated in clusters. Within each cluster the polyglucan chains form double helices which are hexagonally packed. The clusters form spherically concentric crystalline layers with amylose in an amorphous form acting as a space-filler. A translational mechanism for the change of helical direction at boundaries between clusters is proposed which can account for variations in the curvature of the concentric layers. The model is related to X-ray diffraction data and optical birefringence, considering dissembly at gelatinization. The structure is also discussed in relation to biosynthesis. Some aspects of gelatinization, such as the recent glass-transition approach, are then considered.