Nested sampling for materials: the case of hard spheres

The recently introduced nested sampling algorithm allows the direct and efficient calculation of the partition function of atomistic systems. We demonstrate its applicability to condensed phase systems with periodic boundary conditions by studying the three dimensional hard sphere model. Having obtained the partition function, we show how easy it is to calculate the compressibility and the free energy as functions of the packing fraction and local order, verifying that the transition to crystallinity has a very small barrier, and that the entropic contribution of jammed states to the free energy is negligible for packing fractions above the phase transition. We quantify the previously proposed schematic phase diagram and estimate the extent of the region of jammed states. We find that within our samples, the maximally random jammed configuration is surprisingly disordered.

Autoignition of monodisperse biodiesel and diesel sprays in turbulent flows

A new experimental configuration has been developed to examine the effects of flow on the autoignition of dilute diesel and biodiesel sprays, where the spray is injected in the form of monodisperse individual droplets at right angles to a hot air turbulent flow. The ignition location has been measured by monitoring the OH * chemiluminescence. A qualitative comparison of the flame behaviour between ethanol, acetone, heptane and biodiesel as fuels has also been carried out. With decreasing volatility of the fuel, the flame showed progressively a higher number of individual droplets burning, with the first autoignition spots appearing at random locations but in general earlier than the intense droplet-flame emission. The time-averaged autoignition length increased with increasing air velocity and with increasing intensity of the turbulence, while it decreased with the temperature and the droplet size. The data can be used for validating models for two-phase turbulent combustion. © 2012 Elsevier Inc.

Physical consequences of a nonparametric uncertainty model in structural dynamics

One of the main claims of the nonparametric model of random uncertainty introduced by Soize (2000) [3] is its ability to account for model uncertainty. The present paper investigates this claim by examining the statistics of natural frequencies, total energy and underlying dispersion equation yielded by the nonparametric approach for two simple systems: a thin plate in bending and a one-dimensional finite periodic massspring chain. Results for the plate show that the average modal density and the underlying dispersion equation of the structure are gradually and systematically altered with increasing uncertainty. The findings for the massspring chain corroborate the findings for the plate and show that the remote coupling of nonadjacent degrees of freedom induced by the approach suppresses the phenomenon of mode localization. This remote coupling also leads to an instantaneous response of all points in the chain when one mass is excited. In the light of these results, it is argued that the nonparametric approach can deal with a certain type of model uncertainty, in this case the presence of unknown terms of higher or lower order in the governing differential equation, but that certain expectations about the system such as the average modal density may conflict with these results. © 2012 Elsevier Ltd.

Characteristics of blood flow in microchannels and relevant impact on modelling blood behaviour in biochip separators

This paper reports a perspective investigation of computational modelling of blood fluid in microchannel devices as a preparation for future research on fluid-structure interaction (FSI) in biofluid mechanics. The investigation is carried out through two aspects, respectively on physical behaviours of blood flow in microchannels and appropriate methodology for modelling. The physics of blood flow is targeted to the challenges for describing blood flow in microchannels, including rheology of blood fluid, suspension features of red blood cells (RBCs), laminar hydrodynamic influence and effect of surface roughness. The analysis shows that due to the hyperelastic property of RBC and its comparable dimension with microchannels, blood fluid shows complex behaviours of two phase flow. The trajectory and migration of RBCs require accurate description of RBC deformation and interaction with plasma. Following on a discussion of modelling approaches, i.e. Eulerian method and Lagrangian method, the main stream modelling methods for multiphase flow are reviewed and their suitability to blood flow is analysed. It is concluded that the key issue for blood flow modelling is how to describe the suspended blood cells, modelled by Lagrangian method, and couple them with the based flow, modelled by Eulerian method. The multiphase flow methods are thereby classified based on the number of points required for describing a particle, as follows: (i) single-point particle methods, (ii) mutli-point particle methods, (iii) functional particle methods, and (iv) fluid particle methods. While single-point particle methods concentrate on particle dynamic movement, multipoint and functional particle methods can take into account particle mechanics and thus offer more detailed information for individual particles. Fluid particle methods provide good compromise between two phases, but require additional information for particle mechanics. For furthermore detailed description, we suggest to investigate the possibility using two domain coupling method, in which particles and base flow are modelled by two separated solvers. It is expected that this paper could clarify relevant issues in numerical modelling of blood flow in microchannels and induce some considerations for modelling blood flow using multiphase flow methods. © 2012 IEEE.

Lyapunov functions for stable cascades and applications to global stabilization

This paper generalizes recent Lyapunov constructions for a cascade of two nonlinear systems, one of which is stable rather than asymptotically stable. A new cross-term construction in the Lyapunov function allows us to replace earlier growth conditions by a necessary boundedness condition. This method is instrumental in the global stabilization of feedforward systems, and new stabilization results are derived from the generalized construction.

On kinematic relaxation and deposition of water droplets in the last stages of low pressure steam turbines

In the first part of the paper steady two-phase flow predictions have been performed for the last stage of a model steam turbine to examine the influence of drag between condensed fog droplets and the continuous vapour phase. In general, droplets due to homogeneous condensation are small and thus kinematic relaxation provides only a minor contribution to the wetness losses. Different droplet size distributions have been investigated to estimate at which size inter-phase friction becomes more important. The second part of the paper deals with the deposition of fog droplets on stator blades. Results from several references are repeated to introduce the two main deposition mechanisms which are inertia and turbulent diffusion. Extensive postprocessing routines have been programmed to calculate droplet deposition due to these effects for a last stage stator blade in three-dimensions. In principle the method to determine droplet deposition by turbulent diffusion equates to that of Yau and Young [1] and the advantages and disadvantages of this relatively simple method are discussed. The investigation includes the influence of different droplet sizes on droplet deposition rates and shows that for small fog droplets turbulent diffusion is the main deposition mechanism. If the droplets size is increased inertial effects become more and more important and for droplets around 1 μm inertial deposition dominates. Assuming realistic droplet sizes the overall deposition equates to about 1% to 3% of the incoming wetness for the investigated guide vane at normal operating conditions. Copyright © 2013 by Solar Turbines Incorporated.

Water droplet flow paths and droplet deposition in low pressure steam turbines

The complex three-dimensional two-phase flow in a low pressure steam turbine is investigated with comprehensive numerical flow simulations. In addition to the condensation process, which already takes place in the last stages of steam turbines, the numerical flow model is enhanced to consider the drag forces between the droplets and the vapour phase. The present paper shows the differences in the flow path of the phases and investigates the effect of an increasing droplet diameter. For the flow simulations a performance cluster is used because of the high effort for such multi-momentum two-phase flow calculations. In steam turbines the deposition of small water droplets on the stator blades or on parts of the casing is responsible for the formation of large coarse water droplets and these may cause additional dissipation as well as damage due to blade erosion. A method is presented that uses detailed CFD data to predict droplet deposition on turbine stator blades. This simulation method to detect regions of droplet deposition can help to improve the design of water removal devices. © Springer-Verlag Berlin Heidelberg 2013.

Unsteady numerical study of wet steam flow in a low pressure steam turbine

In steam power plants condensation already starts in the flow path of the low pressure part of the steam turbine, which leads to a complex three-dimensional two-phase flow. Wetness losses are caused due to thermodynamic and mechanical relaxation processes during condensation and droplet transport. The present investigation focuses on the unsteady effects due to rotor-stator interaction on the droplet formation process. Results of unsteady three dimensional flow simulations of a two-stage steam turbine are presented, whereby this is the first time that non-equilibrium condensation is considered in such simulations. The numerical approach is based on RANS equations, which are extended by a wet steam specific nucleation and droplet growth model. Despite the use of a high performance cluster the unsteady simulation has a considerably high simulation time of approximately 60 days by use of 48 CPUs. © Springer-Verlag Berlin Heidelberg 2012.

Wetness loss prediction for a low pressure steam turbine using computational fluid dynamics

Two-phase computational fluid dynamics modelling is used to investigate the magnitude of different contributions to the wet steam losses in a three-stage model low pressure steam turbine. The thermodynamic losses (due to irreversible heat transfer across a finite temperature difference) and the kinematic relaxation losses (due to the frictional drag of the drops) are evaluated directly from the computational fluid dynamics simulation using a concept based on entropy production rates. The braking losses (due to the impact of large drops on the rotor) are investigated by a separate numerical prediction. The simulations show that in the present case, the dominant effect is the thermodynamic loss that accounts for over 90% of the wetness losses and that both the thermodynamic and the kinematic relaxation losses depend on the droplet diameter. The numerical results are brought into context with the well-known Baumann correlation, and a comparison with available measurement data in the literature is given. The ability of the numerical approach to predict the main wetness losses is confirmed, which permits the use of computational fluid dynamics for further studies on wetness loss correlations. © IMechE 2013 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.