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.
16 February 2024 in Chemical Engineering Research and Design
In this study, we propose a mesh-free (particle-based) Smoothed Particle Hydrodynamics model for simulating a Rayleigh collapse. Both empty and gas cavities are investigates and the role of heat diffusion is also accounted for. The system behaves very differently according to the ratio between the characteristic time of collapse and the characteristic time of thermal diffusion. This study identifies five different possible behaviours that range from isothermal to adiabatic.
In this study, we propose a smoothed particle hydrodynamics model for simulating a shock wave interacting with cylindrical gas inhomogeneities inside a shock tube. When the gas inhomogeneity interacts with the shock wave, it assumes different shapes depending on the difference in densities between the gas inhomogeneity and the external gas. The model uses a piecewise smoothing length approach and is validated by comparing the results obtained with experimental and CFD data available in the literature. In all the cases considered, the evolution of the inhomogeneity is similar to the experimental shadowgraphs and is at least as accurate as the CFD results in terms of timescale and shape of the gas inhomogeneity.
The non-symmetrical collapse of an empty cylindrical cavity is modeled using Smoothed Particle Hydrodynamics. The presence of a nearby surface produces an anisotropic pressure field generating a high-velocity jet that hits the surface. The collapse follows a different dynamic based on the initial distance between the center of the cavity and the surface. When the distance is greater than the cavity radius (detached cavity) the surface is hit by traveling shock waves. When the distance is less than the cavity radius (attached cavity) the surface is directly hit by the jet and later by other shock waves generated in the last stages of the of the collapse. The results show that the surface is hit by a stronger shock when distance between the center of the cavity and the surface is zero while showing more complex double peaks behavior for other distances.
26 March 2024 in Separation and Purification Technology