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A type of discharge particle morphology that closely resembles furrowed toroid particles, which are formed at high operating oxygen pressures, was discovered. It was also found that the charge voltage required to decompose furrowed toroid particles was lower than that to decompose toroid-shaped particles. Combined experimental and density functional theory investigations showed that the formation of furrowed toroid particles could be attributed to an increase in the proportion of the intermediate discharge product LiO2, which gravitates toward adsorbing onto the surface of the Li2O2 crystal layers rather than onto the carbon substrate. Moreover, the increased proportion of LiO2 in the discharge product particles was found to improve the effective electrical conductivity, which thereby lowered the charge voltage. The findings suggest that the charge voltage can effectively be reduced and the efficiency of the battery can be improved by creating discharge products in the morphology of furrowed toroid particles.

Some issues of He-Chen-Zhang lattice Boltzmann equation (LBE) method (referred as HCZ model) (J. Comput. Physics 1999; 152:642-663) for immiscible multiphase flows with large density ratio are assessed in this paper. An extended HCZ model with a filter technique and mass correction procedure is proposed based on HCZ's LBE multiphase model. The original HCZ model is capable of maintaining a thin interface but is prone to generating unphysical oscillations in surface tension and index function at moderate values of density ratio. With a filtering technique, the monotonic variation of the index function across the interface is maintained with larger density ratio. Kim's surface tension formulation for diffuse-interface method (J. Comput. Physics 2005; 204:784-804) is then used to remove unphysical oscillation in the surface tension. Furthermore, as the density ratio increases, the effect of velocity divergence term neglected in the original HCZ model causes significant unphysical mass sources near the interface. By keeping the velocity divergence term, the unphysical mass sources near the interface can be removed with large density ratio. The long-time accumulation of the modeling and/or numerical errors in the HCZ model also results in the error of mass conservation of each dispersed phase. A mass correction procedure is devised to improve the performance of the method in this regard. For flows over a stationary and a rising bubble, and capillary waves with density ratio up to 100, the present approach yields solutions with interface thickness of about five to six lattices and no long-time diffusion, significantly advancing the performance of the LBE method for multiphase flow simulations.

For surrogate construction, a good experimental design (ED) is essential to simultaneously reduce the effect of noise and bias errors. However, most EDs cater to a single criterion and may lead to small gains in that criterion at the expense of large deteriorations in other criteria. We use multiple criteria to assess the performance of different popular EDs. We demonstrate that these EDs offer different trade-offs, and that use of a single criterion is indeed risky. In addition, we show that popular EDs, such as Latin hypercube sampling (LHS) and D-optimal designs, often leave large regions of the design space unsampled even for moderate dimensions. We discuss a few possible strategies to combine multiple criteria and illustrate them with examples. We show that complementary criteria (e.g. bias handling criterion for variance-based designs and vice versa) can be combined to improve the performance of EDs. We demonstrate improvements in the trade-offs between noise and bias error by combining a model-based criterion, like the D-optimality criterion, and a geometry-based criterion, like LHS. Next, we demonstrate that selecting an ED from three candidate EDs using a suitable error-based criterion helped eliminate potentially poor designs. Finally, we show benefits from combining the multiple criteria-based strategies, that is, generation of multiple EDs using the D-optimality and LHS criteria, and selecting one design using a pointwise bias error criterion. The encouraging results from the examples indicate that it may be worthwhile studying these strategies more rigorously and in more detail. Copyright © 2007 John Wiley & Sons, Ltd.

SUMMARY Computational aeroacoustics requires numerical techniques capable of yielding low artificial dispersion and dissipation to preserve the amplitude and the frequency characteristics of the physical processes. Furthermore, for engineering applications, the techniques need to handle irregular geometries associated with realistic configurations. We address these issues by developing an optimized prefactored compact finite volume (OPC-fv) scheme along with a Cartesian cut-cell technique. The OPC-fv scheme seeks to minimize numerical dispersion and dissipation while satisfying the conservation laws. The cut-cell approach treats irregularly shaped boundaries using divide-and-merge procedures for the Cartesian cells while maintaining a desirable level of accuracy. We assess these techniques using several canonical test problems, involving different levels of physical and geometric complexities. Richardson extrapolation is an effective tool for evaluating solutions of no high gradients or discontinuities, and is used to evaluate the performance of the solution technique. It is demonstrated that while the cut-cell method has a modest effect on the order of accuracy, it is a robust method. The combined OPC-fv scheme and the Cartesian cut-cell technique offer good accuracy as well as geometric flexibility. Copyright q 2008 John Wiley & Sons, Ltd.

In lattice Boltzmann simulations, variable viscosity can complicate the truncation error analysis and create additional interaction between the truncation error and the boundary condition error. In order to address this issue, two boundary conditions for the lattice Boltzmann equation (LBE) simulations are used, including an exact, but narrowly applicable scheme previously proposed by Noble et al. (Phys. Fluids 1995; 7(1):203–209) and the popular bounce-back-on-link scheme. Using a 2-D laminar channel flow with a specified variable viscosity as a test case, it is shown that the boundary treatment error does not have a significant interaction with the truncation error associated with variable viscosity. The truncation error behaviour of the LBE for flows with variable viscosity is further investigated through a comparison between the LBE solution and the Navier–Stokes solution, showing that in the presence of strong variable viscosity the truncation error behaviour of the LBE solution is consistent with that of the Navier–Stokes solution, indicating that the LBE model closely matches the Navier–Stokes model for fluid flows with large viscosity variation. Copyright © 2006 John Wiley & Sons, Ltd.

This paper proposes a generalized pointwise bias error bounds estimation method for polynomial-based response surface approximations when bias errors are substantial. A relaxation parameter is introduced to account for inconsistencies between the data and the assumed true model. The method is demonstrated with a polynomial example where the model is a quadratic polynomial while the true function is assumed to be cubic polynomial. The effect of relaxation parameter is studied. It is demonstrated that when bias errors dominate, the bias error bounds characterize the actual error field better than the standard error. The bias error bound estimates also help to identify regions in the design space where the accuracy of the response surface approximations is inadequate. It is demonstrated that this information can be utilized for adaptive sampling in order to improve accuracy in such regions.

A posteriori error estimators are fundamental tools for providing confidence in the numerical computation of PDEs. To date, the main theories of a posteriori estimators have been developed largely in the finite element framework, for either linear elliptic operators or non-linear PDEs in the absence of disparate length scales. On the other hand, there is a strong interest in using grid refinement combined with Richardson extrapolation to produce CFD solutions with improved accuracy and, therefore, a posteriori error estimates. But in practice, the effective order of a numerical method often depends on space location and is not uniform, rendering the Richardson extrapolation method unreliable. We have recently introduced (Garbey, 13th International Conference on Domain Decomposition, Barcelona, 2002; 379–386; Garbey and Shyy, J. Comput. Phys. 2003; 186:1–23) a new method which estimates the order of convergence of a computation as the solution of a least square minimization problem on the residual. This method, called least square extrapolation, introduces a framework facilitating multi-level extrapolation, improves accuracy and provides a posteriori error estimate. This method can accommodate different grid arrangements. The goal of this paper is to investigate the power and limits of this method via incompressible Navier Stokes flow computations. Copyright © 2005 John Wiley & Sons, Ltd.

Turbulent cavitating flow computations need to address both cavitation and turbulence modelling issues. A recently developed interfacial dynamics-based cavitation model (IDCM) incorporates the interfacial transport into the computational modelling of cavitation dynamics. For time-dependent flows, it is known that the engineering turbulence closure such as the original k–e model often over-predicts the eddy viscosity values reducing the unsteadiness. A recently proposed filter-based modification has shown that it can effectively modulate the eddy viscosity, rendering better simulation capabilities for time-dependent flow computations in term of the unsteady characteristics. In the present study, the IDCM along with the filter-based k–e turbulence model is adopted to simulate 2-D cavitating flows over the Clark-Y airfoil. The chord Reynolds number is Re=7.0 × 105. Two angles-of-attack of 5 and 8° associated with several cavitation numbers covering different flow regimes are conducted. The simulation results are assessed with the experimental data including lift, drag and velocity profiles. The interplay between cavitation and turbulence models reveals substantial differences in time-dependent flow results even though the time-averaged characteristics are similar. Copyright © 2005 John Wiley & Sons, Ltd.

The volume of fluid (VOF) and immersed boundary (IB) methods are two popular computational techniques for multi-fluid dynamics. To help shed light on the performance of both techniques, we present accuracy assessment, which includes interfacial geometry, detailed and global fluid flow characteristics, and computational robustness. The investigation includes the simulations of a droplet under static equilibrium as a limiting test case and a droplet rising due to gravity for Re less than or equal to 1000. Surface tension force models are key issues in both VOF and IB and alternative treatments are examined resulting in improved solution accuracy. A refined curvature model for VOF is also presented. With the newly developed interfacial treatments incorporated, both IB and VOF perform comparably well for the droplet dynamics under different flow parameters and fluid properties.

The merits of transport equation-based models are investigated by adopting an enhanced pressure-based method for turbulent cavitating flows. An analysis of the mass and normal-momentum conservation at a liquid–vapour interface is conducted in the context of homogeneous equilibrium flow theory, resulting in a new interfacial dynamics-based cavitation model. The model offers direct interpretation of the empirical parameters in the existing transport-equation-based models adopted in the literature. This and three existing cavitation models are evaluated for flows around an axisymmetric cylindrical body and a planar hydrofoil, and through a convergent–divergent nozzle. Although all models considered provide qualitatively comparable wall pressure distributions in agreement with the experimental data, quantitative differences are observed in the closure region of the cavity, due to different compressibility characteristics of each cavitation model. In particular, the baroclinic effect of the vorticity transport equation plays a noticeable role in the closure region of the cavity, and contributes to the highest level of turbulent kinetic energy there. Copyright © 2004 John Wiley & Sons, Ltd.

The interfacial dynamics-based cavitation model, developed in Part-1, is further employed for unsteady flow computations. The pressure-based operator-splitting algorithm (PISO) is extended to handle the time-dependent cavitating flows with particular focus on the coupling of the cavitation and turbulence models, and the large density ratio associated with cavitation. Furthermore, the compressibility effect is important for unsteady cavitating flows because in a water-vapour mixture, depending on the composition, the speed of sound inside the cavity can vary by an order of magnitude. The implications of the issue of the speed of the sound are assessed with alternative modelling approaches. Depending on the geometric confinement of the nozzle, compressibility model and cavitation numbers, either auto-oscillation or quasi-steady behaviour is observed. The adverse pressure gradient in the closure region is stronger at the maximum cavity size. One can also observe that the mass transfer process contributes to the cavitation dynamics. Compared to the steady flow computations, the velocity and vapour volume fraction distributions within the cavity are noticeably improved with time-dependent computations

Compared to the Navier–Stokes equation-based approach, the method of lattice Boltzmann Equation (LBE) offers an alternative treatment for fluid dynamics. The LBE method often employs uniform lattices to maintain a compact and efficient computational procedure, which makes it less efficient to perform flow simulations when there is a need for high resolution near the body and/or there is a far-field boundary. To resolve these difficulties, a multi-block method is developed. An accurate, conservative interface treatment between neighboring blocks is adopted, and demonstrated that it satisfies the continuity of mass, momentum, and stresses across the interface. Several test cases are employed to assess accuracy improvement with respect to grid refinement, the impact of the corner singularity, and the Reynolds number scaling. The present multi-block method can substantially improve the accuracy and computational efficiency of the LBE method for viscous flow computations. Copyright © 2002 John Wiley & Sons, Ltd.

In this work a mixed Eulerian–Lagrangian technique is devised, hereinafter abbreviated as ELAFINT (Eulerian–Lagrangian Algorithm For INterface Tracking). The method is capable of handling fluid flows in the presence of both irregularly shaped solid boundaries and moving/free phase boundaries. The position and shape of the boundary are tracked explicitly by the Lagrangian translation of marker particles. The field equations are solved on an underlying fixed grid as in Eulerian methods. The interface passes through the grid lay-out and details regarding the treatment of the cut cells so formed are provided. The issues involved in treating the internal boundaries are dealt with, with particular attention to conservation and consistency in the vicinity of the interface. The method is tested by comparing with solutions from well-tested body-fitted co-ordinate methods. Test cases pertaining to forced and natural convection in irregular geometries and moving phase boundaries with melt convection are presented. The capability developed here can be beneficial in solving difficult flow problems involving moving and geometrically complex boundaries.

A three-dimensional model has been developed to compute the thermofluid transport within a discharge arctube. The model has proved very useful for guiding the choice of design parameters to optimize the lamp performance. However, uncertainties exist with respect to quantitative aspects of the physical model, especially those related to radiation heat transfer. In the present work a grid refinement procedure and an adaptive grid method are used to improve the quantitative accuracy of the model and to help improve the physical modelling. The adaptive grid method, based on the multiple one-dimensional equidistribution concept, can responsively redistribute the grids to optimize the grid resolutions. Adaptive grid solutions modify the predicted maximum gas temperature, the buoyancy-induced convection strength, the location of the high-temperature core, and the wall temperature profiles. The adaptive grid solutions show more consistent trends when compared to the measurements. On the basis of the quantitatively more definite information, adjustments can be made with regard to the uncertainties of the physical model.

A systematic study has been conducted to assess the performance of the TVD schemes for practical flow computation. The viewpoint adopted here is to treat the TVD schemes as a combination of the standard central difference scheme with numerical dissipation terms. The controlled amount of numerical dissipation modifies the computed fluxes to ensure that the solution is oscillation-free. Four variants of TVD schemes, two with upwind dissipation terms and two with symmetric dissipation terms, have been studied and compared with the conventional Beam-Warming scheme for inviscid and turbulent axisymmetric flow computations. The results obtained show that all four variants can accurately resolve the shock and flow profiles with fewer grid points than the Beam-Warming scheme. The convergence rates of the TVD schemes are also substantially superior to that of the Beam-Warming scheme. The combination of high accuracy, good robustness and improved computational efficiency offered by the TVD schemes makes them attractive for computing high-speed flow with shocks. In terms of the relative performances it is found that the symmetric schemes converge slightly faster but that the upwind schemes are less sensitive to the number of grid points being employed.

Suppression of muzzle blast is important in both large and small caliber gun designs. Key goals in the case of small caliber systems are the reduction in the incidence of hearing loss due to the acoustic signal and signature reduction for military applications. Various devices have been used to reduce the muzzle blast, and the design of these devices has relied heavily on experimental investigation. The current study evaluates the utility of computational models in the design of suppressors for small caliber guns. Experimental measurements are made for a representative suppressor design and simulations are performed to determine the level of model sophistication needed to correctly predict the effects of the device. The current simulations correctly capture both the levels and characteristics of the acoustic signal generated by the bare muzzle and suppressor configurations. These findings support the use of computational models in the suppressor design process.

SUMMARY The three-dimensional turbulent flow in a curved hydraulic turbine draft tube is studied numerically. The analysis is based on the steady Reynolds-averaged Navier-Stokes equations closed with the k--E model. The governing equations are discretized by a conservative finite volume formulation on a non-orthogonal bodyfitted co-ordinate system. Two grid systems, one with 34 x 16 x 12 nodes and another with 50 x 30 x 22 nodes, have been used and the results from them are compared. In terms of computing effort, the number of iterations needed to yield the same degree of convergence is found to be proportional to the square root of the total number of nodes employed, which is consistent with an earlier study made for two-dimensional flows using the same algorithm. Calculations have been performed over a wide range of inlet swirl, using both the hybrid and second-order upwind schemes on coarse and fine grids. The addition of inlet swirl is found to eliminate the stalling characteristics in the downstream region and modify the behaviour of the flow markedly in the elbow region, thereby affecting the overall pressure recovery noticeably. The recovery factor increases up to a swirl ratio of about 0.75, and then drops off. Although the general trends obtained with both finite difference operators are in agreement, the quantitative values as well as some of the fine flow structures can differ. Many of the detailed features observed on the fine grid system are smeared out on the coarse grid system, pointing out the necessity of both a good finite difference operator and a good grid distribution for an accurate result.

Recently the concept of adaptive grid computation has received much attention in the computational fluid dynamics research community. This paper continues the previous efforts of multiple one-dimensional procedures in developing and asessing the ideas of adaptive grid computation. The focus points here are the issue of numerical stability induced by the grid distribution and the accuracy comparison with previously reported work. Two two-dimensional problems with complicated characteristics—namely, flow in a channel with a sudden expansion and natural convection in an enclosed square cavity—are used to demonstrate some salient features of the adaptive grid method. For the channel flow, by appropriate distribution of the grid points the numerical algorithm can more effectively dampen out the instabilities, especially those related to artificial boundary treatments, and hence can converge to a steady-state solution more rapidly. For a more accurate finite difference operator, which contains less undesirable numerical diffusion, the present adaptive grid method can yield a steady-state and convergent solution, while uniform grids produce non-convergent and numerically oscillating solutions. Furthermore, the grid distribution resulting from the adaptive procedure is very responsive to the different characteristics of laminar and turbulent flows. For the problem of natural convection, a combination of a multiple one-dimensional adaptive procedure and a variational formulation is found very useful. Comparisons of the solutions on uniform and adaptive grids with the reported benchmark calculations demonstrate the important role that the adaptive grid computation can play in resolving complicated flow characteristics.