Mapping forces in a 3D elastic assembly of grains

Our understanding of the elasticity and rheology of disordered materials, such as granular piles, foams, emulsions or dense suspensions relies on improving experimental tools to characterise their behaviour at the particle scale. While 2D observations are now routinely carried out in laboratories, 3D measurements remain a challenge. In this paper, we use a simple model system, a packing of soft elastic spheres, to illustrate the capability of X-ray microtomography to characterise the internal structure and local behaviour of granular systems. Image analysis techniques can resolve grain positions, shapes and contact areas; this is used to investigate the materials microstructure and its evolution upon strain. In addition to morphological measurements, we develop a technique to quantify contact forces and estimate the internal stress tensor. As will be illustrated in this paper, this opens the door to a broad array of static and dynamical measurements in 3D disordered systems. © 2011 Elsevier Ltd. All rights reserved.

A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel.

The viscosity-temperature relation is determined for the water models SPC/E, TIP4P, TIP4P/Ew, and TIP4P/2005 by considering Poiseuille flow inside a nano-channel using molecular dynamics. The viscosity is determined by fitting the resulting velocity profile (away from the walls) to the continuum solution for a Newtonian fluid and then compared to experimental values. The results show that the TIP4P/2005 model gives the best prediction of the viscosity for the complete range of temperatures for liquid water, and thus it is the preferred water model of these considered here for simulations where the magnitude of viscosity is crucial. On the other hand, with the TIP4P model, the viscosity is severely underpredicted, and overall the model performed worst, whereas the SPC/E and TIP4P/Ew models perform moderately.

Spatial correlation of heat release rate and sound emission from turbulent premixed flames

The two-point spatial correlation of the rate of change of fluctuating heat release rate is central to the sound emission from open turbulent flames, and a few attempts have been made to address this correlation in recent studies. In this paper, the two-point correlation and its role in combustion noise are studied by analysing direct numerical simulation (DNS) data of statistically multi-dimensional turbulent premixed flames. The results suggest that this correlation function depends on the separation distance and direction but, not on the positions inside the flame brush. This correlation can be modelled using a combination of Hermite-Gaussian functions of zero and second order, i.e. functions of the form (1-Ax2)e-Bx2 for constants A and B, to include its possible negative values. The integral correlation volume obtained using this model is about 0.2δL3 with the length scale obtained from its cube root being about 0.6δ L, where δ L is the laminar flame thermal thickness. Both of the values are slightly larger than the values reported in an earlier study because of the anisotropy observed for the correlation. This model together with the turbulence-dependent parameter K, the ratio of the root-mean-square (RMS) value of the rate of change of reaction rate to the mean reaction rate, derived from the DNS data is applied to predict the far-field sound emitted from open flames. The calculated noise levels agree well with recently reported measurements and show a sensitivity to K values. © 2012 The Combustion Institute.

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.

Low-order modelling of ducted flames with temporally varying equivalence ratio in realistic geometries

The interaction between unsteady heat release and acoustic pressure oscillations in gas turbines results in self-excited combustion oscillations which can potentially be strong enough to cause significant structural damage to the combustor. Correctly predicting the interaction of these processes, and anticipating the onset of these oscillations can be difficult. In recent years much research effort has focused on the response of premixed flames to velocity and equivalence ratio perturbations. In this paper, we develop a flame model based on the socalled G-Equation, which captures the kinematic evolution of the flame surfaces, under the assumptions of axisymmetry, and ignoring vorticity and compressibility. This builds on previous work by Dowling [1], Schuller et al. [2], Cho & Lieuwen [3], among many others, and extends the model to a realistic geometry, with two intersecting flame surfaces within a non-uniform velocity field. The inputs to the model are the free-stream velocity perturbations, and the associated equivalence ratio perturbations. The model also proposes a time-delay calculation wherein the time delay for the fuel convection varies both spatially and temporally. The flame response from this model was compared with experiments conducted by Balachandran [4, 5], and found to show promising agreement with experimental forced case. To address the primary industrial interest of predicting self-excited limit cycles, the model has then been linked with an acoustic network model to simulate the closed-loop interaction between the combustion and acoustic processes. This has been done both linearly and nonlinearly. The nonlinear analysis is achieved by applying a describing function analysis in the frequency domain to predict the limit cycle, and also through a time domain simulation. In the latter case, the acoustic field is assumed to remain linear, with the nonlinearity in the response of the combustion to flow and equivalence ratio perturbations. A transfer function from unsteady heat release to unsteady pressure is obtained from a linear acoustic network model, and the corresponding Green function is used to provide the input to the flame model as it evolves in the time domain. The predicted unstable frequency and limit cycle are in good agreement with experiment, demonstrating the potential of this approach to predict instabilities, and as a test bench for developing control strategies. Copyright © 2011 by ASME.

On representing chemical environments

We review some recently published methods to represent atomic neighbourhood environments, and analyse their relative merits in terms of their faithfulness and suitability for fitting potential energy surfaces. The crucial properties that such representations (sometimes called descriptors) must have are differentiability with respect to moving the atoms, and invariance to the basic symmetries of physics: rotation, reflection, translation, and permutation of atoms of the same species. We demonstrate that certain widely used descriptors that initially look quite different are specific cases of a general approach, in which a finite set of basis functions with increasing angular wave numbers are used to expand the atomic neighbourhood density function. Using the example system of small clusters, we quantitatively show that this expansion needs to be carried to higher and higher wave numbers as the number of neighbours increases in order to obtain a faithful representation, and that variants of the descriptors converge at very different rates. We also propose an altogether new approach, called Smooth Overlap of Atomic Positions (SOAP), that sidesteps these difficulties by directly defining the similarity between any two neighbourhood environments, and show that it is still closely connected to the invariant descriptors. We test the performance of the various representations by fitting models to the potential energy surface of small silicon clusters and the bulk crystal.

Combustion rumble prediction with integrated computational-fluid-dynamics/ low-order-model methods

The pressure oscillation within combustion chambers of aeroengines and industrial gas turbines is a major technical challenge to the development of high-performance and low-emission propulsion systems. In this paper, an approach integrating computational fluid dynamics and one-dimensional linear stability analysis is developed to predict the modes of oscillation in a combustor and their frequencies and growth rates. Linear acoustic theory was used to describe the acoustic waves propagating upstream and downstream of the combustion zone, which enables the computational fluid dynamics calculation to be efficiently concentrated on the combustion zone. A combustion oscillation was found to occur with its predicted frequency in agreement with experimental measurements. Furthermore, results from the computational fluid dynamics calculation provide the flame transfer function to describe unsteady heat release rate. Departures from ideal one-dimensional flows are described by shape factors. Combined with this information, low-order models can work out the possible oscillation modes and their initial growth rates. The approach developed here can be used in more general situations for the analysis of combustion oscillations. Copyright © 2012 by the American Institute of Aeronautics and Astronautics, Inc. All rights reserved.

Sintered metal foams for acoustic absorption

Metal foams fabricated via sintering offer novel mechanical and acoustic properties. Previously, polymer foams have been used as a means of absorbing acoustic energy. However, the structural applications of these foams are limited. The metal sintering approach offers a cost-effective means for the mass-production of open-cell metal foams. The static flow resistance of sintered metal foams was characterized for a range of practical pore sizes and porosities. The measured values for the flow resistance were subsequently used in a phenomenological acoustic model to predict the impedances and propagation constants of the foams. The predictions were then compared to acoustic measurements. At low frequencies (0-1000Hz), the phenomenological model captures the magnitude and frequency dependence of the absorption. At higher frequencies, as expected, the phenomenological model underpredicted the acoustic properties of the foams. However, an alternative microstructural model demonstrated good correlation to the measured results in this frequency range. The effects of foam type and arrangement on the absorption pattern were examined. General trends were identified for enhancing the low frequency performance of an acoustic absorber incorporating sintered foams.