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Anatomical airways parameters, such as length, diameter and angles, have a strong effect on the flow dynamics. Aiming to explore the effect of variations of the bifurcation angle (BA) and carina rounding radius (CRR) of lower human airways on respiratory processes, numerical simulations of airflow during inhalation and exhalation were performed using synthetic bifurcation models. Geometries for the airways models were parameterized based on a set of different BA’s and several CRR’s. A range of Reynolds numbers (Re), relevant to the human breathing process, were selected to analyze airflow behavior. The numerical results showed a significant influence of BA and the CRR on the development of the airflow within the airways, and, therefore, affecting the following relevant features of the flow: the deformation of velocity profiles, alterations of pressure drop, flow patterns, and, finally, enhancement or attenuation of wall shear stresses (WSS) appearing during the regular respiratory process. The numerical results showed that increases in the bifurcation angle value were accompanied by pressure increases of about 20%, especially in the regions close to the bifurcation. Similarly, increases in the BA value led to a reduction in peak shear stresses of up to 70%. For the ranges of angles and radii explored, an increase in pressure of about 20% and a reduction in wall shear stress of more than 400% were obtained by increasing the carina rounding radius. Analysis of the coherent structures and secondary flow patterns also revealed a direct relationship between the location of the vortical structures, the local maxima of the velocity profiles and the local vorticity minima. This relationship was observed for all branches analyzed, for both the inhalation and exhalation processes of the respiratory cycle.

The presence of spherical solid particles immersed in an incompressible turbulent flow was numerically investigated from the perspective of the particle mass fraction (PMF or ϕm), a measure of the particle-to-fluid mass ratio. Although a number of different changes have been reported to be obtained by the presence of solid particles in incompressible turbulent flows, the present study reports the findings of varying ϕm in the the turbulent behaviour of the flow, including aspects such as: turbulent statistics, skin-friction coefficient, and the general dynamics of a particle-laden flow. For this purpose, a particle-laden turbulent channel flow transporting solid particles at three different friction Reynolds numbers, namely Reτ=180, 365, and 950, with a fixed particle volume fraction of ϕv=10−3, was employed as conceptual flow model and simulated using large eddy simulations. The value adopted for ϕv allowed the use of a two-way coupling approach between the particles and the flow or carrier phase. Three different values of ϕm were explored in this work ϕm≈1,2.96, and 12.4. Assessment of the effect of ϕm was performed by examining changes of mean velocity profiles, velocity fluctuation profiles, and a number of other relevant turbulence statistics. Our results show that attenuation of turbulence activity of the carrier phase is attained, and that such attenuation increases with ϕm at fixed Reynolds numbers and ϕv. For the smallest Reynolds number case considered, flows carrying particles with higher ϕm exhibited lower energy requirements to sustain constant fluid mass flow rate conditions. By examining the flow velocity field, as well as instantaneous velocity components contours, it is shown that the attenuation acts even on the largest scales of the flow dynamics, and not only at the smaller levels. These findings reinforce the concept of a selective stabilising effect induced by the solid particles, particularly enhanced by high values of ϕm, which could eventually be exploited for improvement of energetic efficiency of piping or equivalent particles transport systems.

LAMMPS is a powerful simulator originally developed for molecular dynamics that, today, also accounts for other particle-based algorithms such as DEM, SPH, or Peridynamics. The versatility of this software is further enhanced by the fact that it is open-source and modifiable by users. This property suits particularly well Discrete Multiphysics and hybrid models that combine multiple particle methods in the same simulation. Modifying LAMMPS can be challenging for researchers with little coding experience. The available material explaining how to modify LAMMPS is either too basic or too advanced for the average researcher. In this work, we provide several examples, with increasing level of complexity, suitable for researchers and practitioners in physics and engineering, who are familiar with coding without been experts. For each feature, step by step instructions for implementing them in LAMMPS are shown to allow researchers to easily follow the procedure and compile a new version of the code. The aim is to fill a gap in the literature with particular reference to the scientific community that uses particle methods for (discrete) multiphysics.