High order schemes on three-dimensional general polyhedral meshes - Application to the level set method

In this article, we detail the methodology developed to construct arbitrarily high order schemes - linear and WENO - on 3D mixed-element unstructured meshes made up of general convex polyhedral elements. The approach is tailored specifically for the solution of scalar level set equations for application to incompressible two-phase flow problems. The construction of WENO schemes on 3D unstructured meshes is notoriously difficult, as it involves a much higher level of complexity than 2D approaches. This due to the multiplicity of geometrical considerations introduced by the extra dimension, especially on mixed-element meshes. Therefore, we have specifically developed a number of algorithms to handle mixed-element meshes composed of convex polyhedra with convex polygonal faces. The contribution of this work concerns several areas of interest: the formulation of an improved methodology in 3D, the minimisation of computational runtime in the implementation through the maximum use of pre-processing operations, the generation of novel methods to handle complex 3D mixed-element meshes and finally the application of the method to the transport of a scalar level set. © 2012 Global-Science Press.

Bias-free identification of a linear model-predictive steering controller from measured driver steering behavior

Recent developments in modeling driver steering control with preview are reviewed. While some validation with experimental data has been presented, the rigorous application of formal system identification methods has not yet been attempted. This paper describes a steering controller based on linear model-predictive control. An indirect identification method that minimizes steering angle prediction error is developed. Special attention is given to filtering the prediction error so as to avoid identification bias that arises from the closed-loop operation of the driver-vehicle system. The identification procedure is applied to data collected from 14 test drivers performing double lane change maneuvers in an instrumented vehicle. It is found that the identification procedure successfully finds parameter values for the model that give small prediction errors. The procedure is also able to distinguish between the different steering strategies adopted by the test drivers. © 2006 IEEE.

Active control of high-frequency vibration: Optimisation using the hybrid modelling method

This work presents active control of high-frequency vibration using skyhook dampers. The choice of the damper gain and its optimal location is crucial for the effective implementation of active vibration control. In vibration control, certain sensor/actuator locations are preferable for reducing structural vibration while using minimum control effort. In order to perform optimisation on a general built-up structure to control vibration, it is necessary to have a good modelling technique to predict the performance of the controller. The present work exploits the hybrid modelling approach, which combines the finite element method (FEM) and statistical energy analysis (SEA) to provide efficient response predictions at medium to high frequencies. The hybrid method is implemented here for a general network of plates, coupled via springs, to allow study of a variety of generic control design problems. By combining the hybrid method with numerical optimisation using a genetic algorithm, optimal skyhook damper gains and locations are obtained. The optimal controller gain and location found from the hybrid method are compared with results from a deterministic modelling method. Good agreement between the results is observed, whereas results from the hybrid method are found in a significantly reduced amount of time. © 2012 Elsevier Ltd. All rights reserved.

Prediction of tread block forces for a free-rolling tyre in contact with a rough road

This paper describes a new approach to model the forces on a tread block for a free-rolling tyre in contact with a rough road. A theoretical analysis based on realistic tread mechanical properties and road roughness is presented, indicating partial contact between a tread block and a rough road. Hence an asperity-scale indentation model is developed using a semi-empirical formulation, taking into account both the rubber viscoelasticity and the tread block geometry. The model aims to capture the essential details of the contact at the simplest level, to make it suitable as part of a time-domain dynamic analysis of the coupled tyre-road system. The indentation model is found to have a good correlation with the finite element (FE) predictions and is validated against experimental results using a rolling contact rig. When coupled to a deformed tyre belt profile, the indentation model predicts normal and tangential force histories inside the tyre contact patch that show good agreement with FE predictions. © 2012 Elsevier B.V..

Density stratified environments: The double-tank method

We present an alternative method of producing density stratifications in the laboratory based on the 'double-tank' method proposed by Oster (Sci Am 213:70-76, 1965). We refer to Oster's method as the 'forced-drain' approach, as the volume flow rates between connecting tanks are controlled by mechanical pumps. We first determine the range of density profiles that may be established with the forced-drain approach other than the linear stratification predicted by Oster. The dimensionless density stratification is expressed analytically as a function of three ratios: the volume flow rate ratio n, the ratio of the initial liquid volumes λ and the ratio of the initial densities ψ. We then propose a method which does not require pumps to control the volume flow rates but instead allows the connecting tanks to drain freely under gravity. This is referred to as the 'free-drain' approach. We derive an expression for the density stratification produced and compare our predictions with saline stratifications established in the laboratory using the 'free-drain' extension of Oster's method. To assist in the practical application of our results we plot the region of parameter space that yield concave/convex or linear density profiles for both forced-drain and free-drain approaches. The free-drain approach allows the experimentalist to produce a broad range of density profiles by varying the initial liquid depths, cross-sectional and drain opening areas of the tanks. One advantage over the original Oster approach is that density profiles with an inflexion point can now be established. © 2008 Springer-Verlag.

Linear multiscale analysis and finite element validation of stretching and bending dominated lattice materials

The paper presents a multiscale procedure for the linear analysis of components made of lattice materials. The method allows the analysis of both pin-jointed and rigid-jointed microtruss materials with arbitrary topology of the unit cell. At the macroscopic level, the procedure enables to determine the lattice stiffness, while at the microscopic level the internal forces in the lattice elements are expressed in terms of the macroscopic strain applied to the lattice component. A numeric validation of the method is described. The procedure is completely automated and can be easily used within an optimization framework to find the optimal geometric parameters of a given lattice material. © 2011 Elsevier Ltd. All rights reserved.

The vibro-acoustic analysis of built-up systems using a hybrid method with parametric and non-parametric uncertainties

An existing hybrid finite element (FE)/statistical energy analysis (SEA) approach to the analysis of the mid- and high frequency vibrations of a complex built-up system is extended here to a wider class of uncertainty modeling. In the original approach, the constituent parts of the system are considered to be either deterministic, and modeled using FE, or highly random, and modeled using SEA. A non-parametric model of randomness is employed in the SEA components, based on diffuse wave theory and the Gaussian Orthogonal Ensemble (GOE), and this enables the mean and variance of second order quantities such as vibrational energy and response cross-spectra to be predicted. In the present work the assumption that the FE components are deterministic is relaxed by the introduction of a parametric model of uncertainty in these components. The parametric uncertainty may be modeled either probabilistically, or by using a non-probabilistic approach such as interval analysis, and it is shown how these descriptions can be combined with the non-parametric uncertainty in the SEA subsystems to yield an overall assessment of the performance of the system. The method is illustrated by application to an example built-up plate system which has random properties, and benchmark comparisons are made with full Monte Carlo simulations. © 2012 Elsevier Ltd. All rights reserved.

Low-cost PCB-integrated 10-Gb/s optical transceiver built with a novel integration method

A novel integration method for the production of cost-effective optoelectronic printed circuit boards (OE PCBs) is presented. The proposed integration method allows fabrication of OE PCBs with manufacturing processes common to the electronics industry while enabling direct attachment of electronic components onto the board with solder reflow processes as well as board assembly with automated pick-and-place tools. The OE PCB design is based on the use of polymer multimode waveguides, end-fired optical coupling schemes, and simple electro-optic connectors, eliminating the need for additional optical components in the optical layer, such as micro-mirrors and micro-lenses. A proof-of-concept low-cost optical transceiver produced with the proposed integration method is presented. This transceiver is fabricated on a low-cost FR4 substrate, comprises a polymer Y-splitter together with the electronic circuitry of the transmitter and receiver modules and achieves error-free 10-Gb/s bidirectional data transmission. Theoretical studies on the optical coupling efficiencies and alignment tolerances achieved with the employed end-fired coupling schemes are presented while experimental results on the optical transmission characteristics, frequency response, and data transmission performance of the integrated optical links are reported. The demonstrated optoelectronic unit can be used as a front-end optical network unit in short-reach datacommunication links. © 2011-2012 IEEE.

An Arbitrary Lagrangian Eulerian Method for Three-Phase Flows with Triple Junction Points

We present a moving mesh method suitable for solving two-dimensional and axisymmetric three-liquid flows with triple junction points. This method employs a body-fitted unstructured mesh where the interfaces between liquids are lines of the mesh system, and the triple junction points (if exist) are mesh nodes. To enhance the accuracy and the efficiency of the method, the mesh is constantly adapted to the evolution of the interfaces by refining and coarsening the mesh locally; dynamic boundary conditions on interfaces, in particular the triple points, are therefore incorporated naturally and accurately in a Finite- Element formulation. In order to allow pressure discontinuity across interfaces, double-values of pressure are necessary for interface nodes and triple-values of pressure on triple junction points. The resulting non-linear system of mass and momentum conservation is then solved by an Uzawa method, with the zero resultant condition on triple points reinforced at each time step. The method is used to investigate the rising of a liquid drop with an attached bubble in a lighter liquid.

Taper-free and vertically oriented Ge nanowires on Ge/Si substrates grown by a two-temperature process

Taper-free and vertically oriented Ge nanowires were grown on Si (111) substrates by chemical vapor deposition with Au nanoparticle catalysts. To achieve vertical nanowire growth on the highly lattice mismatched Si substrate, a thin Ge buffer layer was first deposited, and to achieve taper-free nanowire growth, a two-temperature process was employed. The two-temperature process consisted of a brief initial base growth step at high temperature followed by prolonged growth at lower temperature. Taper-free and defect-free Ge nanowires grew successfully even at 270 °C, which is 90 °C lower than the bulk eutectic temperature. The yield of vertical and taper-free nanowires is over 90%, comparable to that of vertical but tapered nanowires grown by the conventional one-temperature process. This method is of practical importance and can be reliably used to develop novel nanowire-based devices on relatively cheap Si substrates. Additionally, we observed that the activation energy of Ge nanowire growth by the two-temperature process is dependent on Au nanoparticle size. The low activation energy (∼5 kcal/mol) for 30 and 50 nm diameter Au nanoparticles suggests that the decomposition of gaseous species on the catalytic Au surface is a rate-limiting step. A higher activation energy (∼14 kcal/mol) was determined for 100 nm diameter Au nanoparticles which suggests that larger Au nanoparticles are partially solidified and that growth kinetics become the rate-limiting step. © 2011 American Chemical Society.

Structural analysis of plate-type fuel assemblies and development of a non-destructive method to assess their integrity

This work is concerned with the structural behaviour and the integrity of parallel plate-type nuclear fuel assemblies. A plate-type assembly consists of several thin plates mounted in a box-like structure and is subjected to a coolant flow that can result in a considerable drag force. A finite element model of an assembly is presented to study the sensitivity of the natural frequencies to the stiffness of the plates' junctions. It is shown that the shift in the natural frequencies of the torsional modes can be used to check the global integrity of the fuel assembly while the local natural frequencies of the inner plates can be used to estimate the maximum drag force they can resist. Finally a non-destructive method is developed to assess the resistance of the inner plates to bear an applied load. Extensive computational and experimental results are presented to prove the applicability of the method presented. © 2013 Elsevier B.V. All rights reserved.

Multi-scale modelling of granular avalanches

Avalanches, debris flows, and landslides are geophysical hazards, which involve rapid mass movement of granular solids, water and air as a single-phase system. The dynamics of a granular flow involve at least three distinct scales: the micro-scale, meso-scale, and the macro-scale. This study aims to understand the ability of continuum models to capture the micro-mechanics of dry granular collapse. Material Point Method (MPM), a hybrid Lagrangian and Eulerian approach, with Mohr-Coulomb failure criterion is used to describe the continuum behaviour of granular column collapse, while the micromechanics is captured using Discrete Element Method (DEM) with tangential contact force model. The run-out profile predicted by the continuum simulations matches with DEM simulations for columns with small aspect ratios ('h/r' < 2), however MPM predicts larger run-out distances for columns with higher aspect ratios ('h/r' > 2). Energy evolution studies in DEM simulations reveal higher collisional dissipation in the initial free-fall regime for tall columns. The lack of a collisional energy dissipation mechanism in MPM simulations results in larger run-out distances. Micro-structural effects, such as shear band formations, were observed both in DEM and MPM simulations. A sliding flow regime is observed above the distinct passive zone at the core of the column. Velocity profiles obtained from both the scales are compared to understand the reason for a slow flow run-out mobilization in MPM simulations. © 2013 AIP Publishing LLC.

Tests of an adaptive QM/MM calculation on free energy profiles of chemical reactions in solution.

We present reaction free energy calculations using the adaptive buffered force mixing quantum mechanics/molecular mechanics (bf-QM/MM) method. The bf-QM/MM method combines nonadaptive electrostatic embedding QM/MM calculations with extended and reduced QM regions to calculate accurate forces on all atoms, which can be used in free energy calculation methods that require only the forces and not the energy. We calculate the free energy profiles of two reactions in aqueous solution: the nucleophilic substitution reaction of methyl chloride with a chloride anion and the deprotonation reaction of the tyrosine side chain. We validate the bf-QM/MM method against a full QM simulation, and show that it correctly reproduces both geometrical properties and free energy profiles of the QM model, while the electrostatic embedding QM/MM method using a static QM region comprising only the solute is unable to do so. The bf-QM/MM method is not explicitly dependent on the details of the QM and MM methods, so long as it is possible to compute QM forces in a small region and MM forces in the rest of the system, as in a conventional QM/MM calculation. It is simple, with only a few parameters needed to control the QM calculation sizes, and allows (but does not require) a varying and adapting QM region which is necessary for simulating solutions.

Free energy surface reconstruction from umbrella samples using Gaussian process regression

We demonstrate how the Gaussian process regression approach can be used to efficiently reconstruct free energy surfaces from umbrella sampling simulations. By making a prior assumption of smoothness and taking account of the sampling noise in a consistent fashion, we achieve a significant improvement in accuracy over the state of the art in two or more dimensions or, equivalently, a significant cost reduction to obtain the free energy surface within a prescribed tolerance in both regimes of spatially sparse data and short sampling trajectories. Stemming from its Bayesian interpretation the method provides meaningful error bars without significant additional computation. A software implementation is made available on www.libatoms.org.

Free energy surface reconstruction from umbrella samples using Gaussian process regression II: Multiple collective variables

We demonstrate how a prior assumption of smoothness can be used to enhance the reconstruction of free energy profiles from multiple umbrella sampling simulations using the Bayesian Gaussian process regression approach. The method we derive allows the concurrent use of histograms and free energy gradients and can easily be extended to include further data. In Part I we review the necessary theory and test the method for one collective variable. We demonstrate improved performance with respect to the weighted histogram analysis method and obtain meaningful error bars without any significant additional computation. In Part II we consider the case of multiple collective variables and compare to a reconstruction using least squares fitting of radial basis functions. We find substantial improvements in the regimes of spatially sparse data or short sampling trajectories. A software implementation is made available on www.libatoms.org.