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.

Slip flow and heat transfer in microbearings with fractal surface topographies

The effects of random surface roughness on slip flow and heat transfer in microbearings are investigated. A three-dimensional random surface roughness model characterized by fractal geometry is used to describe the multiscale self-affine roughness, which is represented by the modified two-variable Weierstrass- Mandelbrot (W-M) functions, at micro-scale. Based on this fractal characterization, the roles of rarefaction and roughness on the thermal and flow properties in microbearings are predicted and evaluated using numerical analyses and simulations. The results show that the boundary conditions of velocity slip and temperature jump depend not only on the Knudsen number but also on the surface roughness. It is found that the effects of the gas rarefaction and surface roughness on flow behavior and heat transfer in the microbearing are strongly coupled. The negative influence of roughness on heat transfer found to be the Nusselt number reduction. In addition, the effects of temperature difference and relative roughness on the heat transfer in the bearing are also analyzed and discussed. © 2012 Elsevier Ltd. All rights reserved.

Fluid-structure interaction of three-dimensional magnetic artificial cilia

A numerical model is developed to analyse the interaction of artificial cilia with the surrounding fluid in a three-dimensional setting in the limit of vanishing fluid inertia forces. The cilia are modelled using finite shell elements and the fluid is modelled using a boundary element approach. The coupling between both models is performed by imposing no-slip boundary conditions on the surface of the cilia. The performance of the model is verified using various reference problems available in the literature. The model is used to simulate the fluid flow due to magnetically actuated artificial cilia. The results show that narrow and closely spaced cilia create the largest flow, that metachronal waves along the width of the cilia create a significant flow in the direction of the cilia width and that the recovery stroke in the case of the out-of-plane actuation of the cilia strongly depends on the cilia width. © 2012 Cambridge University Press.

3D modeling of high-T c superconductors by finite element software

A three-dimensional (3D) numerical model is proposed to solve the electromagnetic problems involving transport current and background field of a high-T c superconducting (HTS) system. The model is characterized by the E-J power law and H-formulation, and is successfully implemented using finite element software. We first discuss the model in detail, including the mesh methods, boundary conditions and computing time. To validate the 3D model, we calculate the ac loss and trapped field solution for a bulk material and compare the results with the previously verified 2D solutions and an analytical solution. We then apply our model to test some typical problems such as superconducting bulk array and twisted conductors, which cannot be tackled by the 2D models. The new 3D model could be a powerful tool for researchers and engineers to investigate problems with a greater level of complicity.

Vibrations of coupled cylindrical-conical shells

The free vibrational characteristics of coupled conical-cylindrical shells is presented. The equations of motion for the cylindrical shell are solved using a wave approach while the equations of motion for the conical shells are solved using a power series solution. The use of both Donnell-Mushtari and Flügge equations of motion are investigated and their limitations are discussed. Results are presented in terms of natural frequencies for different boundary conditions and the purely torsional mode solution is described. The results from the analytical model presented are compared with those obtained from a finite element model solved with Nastran and other data available in literature.

Does precision decrease with set size?

The brain encodes visual information with limited precision. Contradictory evidence exists as to whether the precision with which an item is encoded depends on the number of stimuli in a display (set size). Some studies have found evidence that precision decreases with set size, but others have reported constant precision. These groups of studies differed in two ways. The studies that reported a decrease used displays with heterogeneous stimuli and tasks with a short-term memory component, while the ones that reported constancy used homogeneous stimuli and tasks that did not require short-term memory. To disentangle the effects of heterogeneity and short-memory involvement, we conducted two main experiments. In Experiment 1, stimuli were heterogeneous, and we compared a condition in which target identity was revealed before the stimulus display with one in which it was revealed afterward. In Experiment 2, target identity was fixed, and we compared heterogeneous and homogeneous distractor conditions. In both experiments, we compared an optimal-observer model in which precision is constant with set size with one in which it depends on set size. We found that precision decreases with set size when the distractors are heterogeneous, regardless of whether short-term memory is involved, but not when it is homogeneous. This suggests that heterogeneity, not short-term memory, is the critical factor. In addition, we found that precision exhibits variability across items and trials, which may partly be caused by attentional fluctuations.

Structural optimization of lattice materials

Lattice materials are characterized at the microscopic level by a regular pattern of voids confined by walls. Recent rapid prototyping techniques allow their manufacturing from a wide range of solid materials, ensuring high degrees of accuracy and limited costs. The microstructure of lattice material permits to obtain macroscopic properties and structural performance, such as very high stiffness to weight ratios, highly anisotropy, high specific energy dissipation capability and an extended elastic range, which cannot be attained by uniform materials. Among several applications, lattice materials are of special interest for the design of morphing structures, energy absorbing components and hard tissue scaffold for biomedical prostheses. Their macroscopic mechanical properties can be finely tuned by properly selecting the lattice topology and the material of the walls. Nevertheless, since the number of the design parameters involved is very high, and their correlation to the final macroscopic properties of the material is quite complex, reliable and robust multiscale mechanics analysis and design optimization tools are a necessary aid for their practical application. In this paper, the optimization of lattice materials parameters is illustrated with reference to the design of a bracket subjected to a point load. Given the geometric shape and the boundary conditions of the component, the parameters of four selected topologies have been optimized to concurrently maximize the component stiffness and minimize its mass. Copyright © 2011 by ASME.

An efficient model for the dynamic behaviour of a single pile in viscoelastic soil

This paper presents a novel, three-dimensional, single-pile model, formulated in the wavenumber domain and adapted to account for boundary conditions using the superposition of loading cases. The pile is modelled as a column in axial vibration, and a Euler-Bernoulli beam in lateral vibration. The surrounding soil is treated as a viscoelastic continuum. The response of the pile is presented in terms of the stiffness and damping coefficients, and also the magnitude and phase of the pile-head frequency-response function. Comparison with existing models shows that excellent agreement is observed between this model, a boundary-element formulation, and an elastic-continuum-type formulation. This three-dimensional model has an accuracy equivalent to a 3D boundary-element model, and a runtime similar to a 2D plane-strain analytical model. Analysis of the response of the single pile illustrates a difference in axial and lateral vibration behaviour; the displacement along the pile is relatively invariant under axial loads, but in lateral vibration the pile exhibits localised deformations. This implies that a plane-strain assumption is valid for axial loadings and only at higher frequencies for lateral loadings. © 2013 Elsevier Ltd.

Wave propagation under vertically excited surface foundation

Recently developed equipment allows measurement of the shear modulus of soil in situ as a function of level of strain. In these field experiments, the excitation is applied on the ground surface using large scale shakers, and the response of the soil deposit is recorded through embedded receivers. The focus of this paper is on the simulation of signals which would be recorded at the receiver locations in idealized conditions to provide guidelines on the interpretation of field measurements. Discrete and finite element methods are employed to model one dimensional and three dimensional geometries, respectively, under various lateral boundary conditions. When the first times of arrival are detected by receivers under the vertical impulse, they coincide with the arrival of the P wave, related to the constrained modulus of the material, regardless of lateral boundary conditions. If one considers, on the other hand, phase differences between the motions at two receivers the picture is far more complicated and one would obtain propagation velocities, function of frequency and depth, which do not correspond to either the constrained modulus or Young's modulus. It is thus necessary to apply some care when interpreting the data from field tests based on vertical steady state vibrations. The use of inverse analysis can be considered as a way of extracting the shear modulus of soil from the field test measurements. © 2008 ASCE.

Guidance of collective cell migration by substrate geometry.

Collective behavior refers to the emergence of complex migration patterns over scales larger than those of the individual elements constituting a system. It plays a pivotal role in biological systems in regulating various processes such as gastrulation, morphogenesis and tissue organization. Here, by combining experimental approaches and numerical modeling, we explore the role of cell density ('crowding'), strength of intercellular adhesion ('cohesion') and boundary conditions imposed by extracellular matrix (ECM) proteins ('constraints') in regulating the emergence of collective behavior within epithelial cell sheets. Our results show that the geometrical confinement of cells into well-defined circles induces a persistent, coordinated and synchronized rotation of cells that depends on cell density. The speed of such rotating large-scale movements slows down as the density increases. Furthermore, such collective rotation behavior depends on the size of the micropatterned circles: we observe a rotating motion of the overall cell population in the same direction for sizes of up to 200 μm. The rotating cells move as a solid body, with a uniform angular velocity. Interestingly, this upper limit leads to length scales that are similar to the natural correlation length observed for unconfined epithelial cell sheets. This behavior is strongly altered in cells that present a downregulation of adherens junctions and in cancerous cell types. We anticipate that our system provides a simple and easy approach to investigate collective cell behavior in a well-controlled and systematic manner.

A coupled hydro-mechanical analysis for prediction of hydraulic fracture propagation in saturated porous media using EFG mesh-less method

The details of the Element Free Galerkin (EFG) method are presented with the method being applied to a study on hydraulic fracturing initiation and propagation process in a saturated porous medium using coupled hydro-mechanical numerical modelling. In this EFG method, interpolation (approximation) is based on nodes without using elements and hence an arbitrary discrete fracture path can be modelled.The numerical approach is based upon solving two governing partial differential equations of equilibrium and continuity of pore water simultaneously. Displacement increment and pore water pressure increment are discretized using the same EFG shape functions. An incremental constrained Galerkin weak form is used to create the discrete system of equations and a fully implicit scheme is used for discretization in the time domain. Implementation of essential boundary conditions is based on the penalty method. In order to model discrete fractures, the so-called diffraction method is used.Examples are presented and the results are compared to some closed-form solutions and FEM approximations in order to demonstrate the validity of the developed model and its capabilities. The model is able to take the anisotropy and inhomogeneity of the material into account. The applicability of the model is examined by simulating hydraulic fracture initiation and propagation process from a borehole by injection of fluid. The maximum tensile strength criterion and Mohr-Coulomb shear criterion are used for modelling tensile and shear fracture, respectively. The model successfully simulates the leak-off of fluid from the fracture into the surrounding material. The results indicate the importance of pore fluid pressure in the initiation and propagation pattern of fracture in saturated soils. © 2013 Elsevier Ltd.

Glass reinforced glass

Laminated glass units are traditionally used to provide a degree of post-fracture strength, but the residual strength is often limited to relatively low levels suffi cient for holding the glass fragments together for a predetermined amount of time. It is possible to achieve a higher level of residual strength, but this requires specific boundary conditions and/or opaque reinforcing materials. This paper describes the experimental investigations on laminated glass units that can provide a signifi cant degree of post-fracture resistance, without the need of boundary restraints or opaque reinforcing materials. The glass units are composed entirely of combinations of conventional transparent interlayers and commercially available glass (annealed, heat treated and chemically strengthened). The paper also describes an empirical energy based interpretation of the mechanical response of the laminated units.

Bayesian parameter identification for vibro-acoustic models with nonparametric uncertainty

Vibration and acoustic analysis at higher frequencies faces two challenges: computing the response without using an excessive number of degrees of freedom, and quantifying its uncertainty due to small spatial variations in geometry, material properties and boundary conditions. Efficient models make use of the observation that when the response of a decoupled vibro-acoustic subsystem is sufficiently sensitive to uncertainty in such spatial variations, the local statistics of its natural frequencies and mode shapes saturate to universal probability distributions. This holds irrespective of the causes that underly these spatial variations and thus leads to a nonparametric description of uncertainty. This work deals with the identification of uncertain parameters in such models by using experimental data. One of the difficulties is that both experimental errors and modeling errors, due to the nonparametric uncertainty that is inherent to the model type, are present. This is tackled by employing a Bayesian inference strategy. The prior probability distribution of the uncertain parameters is constructed using the maximum entropy principle. The likelihood function that is subsequently computed takes the experimental information, the experimental errors and the modeling errors into account. The posterior probability distribution, which is computed with the Markov Chain Monte Carlo method, provides a full uncertainty quantification of the identified parameters, and indicates how well their uncertainty is reduced, with respect to the prior information, by the experimental data. © 2013 Taylor & Francis Group, London.

Static analysis of Euler-Bernoulli beams with multiple unilateral cracks under combined axial and transverse loads

The paper deals with the static analysis of pre-damaged Euler-Bernoulli beams with any number of unilateral cracks and subjected to tensile or compression forces combined with arbitrary transverse loads. The mathematical representation of cracks with a bilateral behaviour (i.e. always open) via Dirac delta functions is extended by introducing a convenient switching variable, which allows each crack to be open or closed depending on the sign of the axial strain at the crack centre. The proposed model leads to analytical solutions, which depend on four integration constants (to be computed by enforcing the boundary conditions) along with the Boolean switching variables associated with the cracks (whose role is to turn on and off the additional flexibility due to the presence of the cracks). An efficient computational procedure is also presented and numerically validated. For this purpose, the proposed approach is applied to two pre-damaged beams, with different damage and loading conditions, and the results so obtained are compared against those given by a standard finite element code (in which the correct opening of the cracks is pre-assigned), always showing a perfect agreement. © 2013 Elsevier Ltd. All rights reserved.

Rashba electron transport in one-dimensional quantum waveguides

The properties of Rashba wave function in the planar one-dimensional waveguide are studied, and the following results are obtained. Due to the Rashba effect, the plane waves of electron with the energy E divide into two kinds of waves with the wave vectors k(1)=k(0)+k(delta) and k(2)=k(0)-k(delta), where k(delta) is proportional to the Rashba coefficient, and their spin orientations are +pi/2 (spin up) and -pi/2 (spin down) with respect to the circuit, respectively. If there is gate or ferromagnetic contact in the circuit, the Rashba wave function becomes standing wave form exp(+/- ik(delta)l)sin[k(0)(l-L)], where L is the position coordinate of the gate or contact. Unlike the electron without considering the spin, the phase of the Rashba plane or standing wave function depends on the direction angle theta of the circuit. The travel velocity of the Rashba waves with the wave vector k(1) or k(2) are the same hk(0)/m*. The boundary conditions of the Rashba wave functions at the intersection of circuits are given from the continuity of wave functions and the conservation of current density. Using the boundary conditions of Rashba wave functions we study the transmission and reflection probabilities of Rashba electron moving in several structures, and find the interference effects of the two Rashba waves with different wave vectors caused by ferromagnetic contact or the gate. Lastly we derive the general theory of multiple branches structure. The theory can be used to design various spin polarized devices.