Direct numerical simulation of backward-facing step flow at Ret = 395 and expansion ratio 2

Backward-facing step (BFS) constitutes a canonical configuration to study wallbounded flows subject to massive expansions produced by abrupt changes in geometry. Recirculation flow regions are common in this type of flow, driving the separated flow to its downstream reattachment. Consequently, strong adverse pressure gradients arise through this process, feeding flow instabilities. Therefore, both phenomena are strongly correlated as the recirculation bubble shape defines how the flow is expanded, and how the pressure rises. In an incompressible flow, this shape depends on the Reynolds value and the expansion ratio. The influence of these two variables on the bubble length is widely studied, presenting an asymptotic behaviour when both parameters are beyond a certain threshold. This is the usual operating point of many practical applications, such as in aeronautical and environmental engineering. Several numerical and experimental studies have been carried out regarding this topic. The existing simulations considering cases beyond the above-mentioned threshold have only been achieved through turbulence modelling, whereas direct numerical simulations (DNS) have been performed only at low Reynolds numbers. Hence, despite the great importance of achieving this threshold, there is a lack of reliable numerical data to assess the accuracy of turbulence models. In this context, a DNS of an incompressible flow over a BFS is presented in this paper, considering a friction Reynolds number (Reτ) of 395 at the inflow and an expansion ratio 2. Finally, the elongation of the Kelvin–Helmholtz instabilities along the shear layer is also studied.Postprint (published version

Numerical study of the 2D lid-driven triangular cavities based on the Lattice Boltzmann method

Numerical study of two dimensional lid driven triangular cavity flow is performed via using lattice Boltzmann method on low Reynolds numbers. The equilateral triangular cavity is the first geometry to be studied, the simulation is performed at Reynolds number 500 and the numerical prediction is compared with previous work done by other scholars. Several isosceles triangular cavities are studied at different initial conditions, Reynolds numbers ranging from 100 to 3000, regardless of the geometry studied, the top lid is always moving from left to right and the driven velocity remains constant. Results are also compared with previous work performed by other scholars, the agreement is very good. According to the authors’ knowledge, this is the first time that MRT-LBM model is used to simulate the flow inside the triangular cavities. One of the advantages of this method is that it is capable of producing at low and high Reynolds numbers.Peer ReviewedPostprint (published version

An investigation on the rheodynamics of human red blood cells using high performance computations

This paper was presented at the 4th Micro and Nano Flows Conference (MNF2014), which was held at University College, London, UK. The conference was organised by Brunel University and supported by the Italian Union of Thermofluiddynamics, IPEM, the Process Intensification Network, the Institution of Mechanical Engineers, the Heat Transfer Society, HEXAG - the Heat Exchange Action Group, and the Energy Institute, ASME Press, LCN London Centre for Nanotechnology, UCL University College London, UCL Engineering, the International NanoScience Community, www.nanopaprika.eu.Studies on the haemodynamics of human circulation are clinically and scientifically important. The flow of human blood is extremely complex due to the existence of the highly deformable red blood cells (RBCs), which are able to pass through capillaries smaller than their size. To investigate the effect of deformation and aggregation in blood flow, a computational technique has been developed by coupling the interaction between the fluid and the deformable solids. The flow of 49,512 RBCs at 45% concentration and under the influence of aggregating forces was examined to improve the existing knowledge on how to simulate and study the blood flow and its structural characteristics of blood at a large scale. The simulation was carried out with full parallelization of the coupled fluid-solid code using spatial decomposition and high performance supercomputers. The large scale feature of the simulation has enabled a macroscale verification and investigation of the overall characteristics of RBC aggregations to be carried out. The results are in excellent agreement with experimental studies and, more specifically, both the experimental and the simulation results show uniform RBC distributions under high shear rates (60-100/s) whereas large aggregations were observed under a lower shear rate of 10/s. The statistical analysis of the simulation data also shows that the shear rate has significant influence on both the flow velocity profiles and the frequency distribution of the RBC orientation angles. The flow under the low shear rate also tended to have bi-phasic velocity profile which is mainly due to the formation of large scale aggregation clusters

Comparison of two efficient methods for calculating partition functions

In the long-time pursuit of the solution to calculate the partition function (or free energy) of condensed matter, Monte-Carlo-based nested sampling should be the state-of-the-art method, and very recently, we established a direct integral approach that works at least four orders faster. In present work, the above two methods were applied to solid argon at temperatures up to $300$K, and the derived internal energy and pressure were compared with the molecular dynamics simulation as well as experimental measurements, showing that the calculation precision of our approach is about 10 times higher than that of the nested sampling method.Comment: 6 pages, 4 figure

Comparison of two efficient methods for calculating partition functions

In the long-time pursuit of the solution to calculate the partition function (or free energy) of condensed matter, Monte-Carlo-based nested sampling should be the state-of-the-art method, and very recently, we established a direct integral approach that works at least four orders faster. In present work, the above two methods were applied to solid argon at temperatures up to $300$K, and the derived internal energy and pressure were compared with the molecular dynamics simulation as well as experimental measurements, showing that the calculation precision of our approach is about 10 times higher than that of the nested sampling method.Comment: 6 pages, 4 figure

One-dimensional Silicon and Germanium Nanostructures With No Carbon Analogues

In this work we report new silicon and germanium tubular nanostructures with no corresponding stable carbon analogues. The electronic and mechanical properties of these new tubes were investigated through ab initio methods. Our results show that the structures have lower energy than their corresponding nanoribbon structures and are stable up to high temperatures (500 and 1000 K, for silicon and germanium tubes, respectively). Both tubes are semiconducting with small indirect band gaps, which can be significantly altered by both compressive and tensile strains. Large bandgap variations of almost 50% were observed for strain rates as small as 3%, suggesting possible applications in sensor devices. They also present high Young's modulus values (0.25 and 0.15 TPa, respectively). TEM images were simulated to help the identification of these new structures

Non-Equilibrium Phonon Transport Across Nanoscale Interfaces

Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we present a theoretical and computational framework to describe phonon transport with position, momentum and scattering event resolution. We apply this framework to a single material spherical nanoparticle for which the multidimensional resolution offers insight into the physical origin of phonon thermalization, and length-scale dependent anisotropy of steady-state phonon distributions. We extend the formalism to handle interfaces explicitly and investigate the specific case of semi-coherent materials interfaces by computing the coupling between phonons and interfacial strain resulting from aperiodic array of misfit dislocations. Our framework quantitatively describes the thermal interface resistance within the technologically relevant Si-Ge heterostructures. In future, this formalism could provide new insight into coherent and driven phonon effects in nanoscale materials increasingly accessible via ultrafast, THz and near-field spectroscopies.Comment: 6 pages, 3 figure