Project description:To address the issues of fluid-solid coupling, instability in the liquid two-phase flow, poor computational efficiency, treating the free surface as a slip wall, and neglecting the movement of oil booms in simulating oil spill containment, this study adopts the Smoothed Particle Hydrodynamics (SPH) method to establish a numerical model for solid-liquid coupling and liquid two-phase flow, specifically designed for oil boom containment and control. The DualSPHysics solver is employed for numerical simulations, incorporating optimized SPH techniques and eight different skirt configurations of the oil boom into the numerical model of two-phase liquid interaction. By setting relevant parameters in the SPH code to enhance computational efficiency, the variations in centroid, undulation, and stability of undulation velocity for different oil boom shapes are observed. The experimental results demonstrate that the improved oil boom exhibits superior oil containment performance. These findings provide a theoretical basis for the design of oil boom skirt structures.
Project description: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.
Project description:The impact of a laser pulse onto a liquid metal droplet is numerically investigated by utilising a weakly compressible single phase model; the thermodynamic closure is achieved by the Tait equation of state (EoS) for the liquid metal. The smoothed particle hydrodynamics (SPH) method, which has been employed in the arbitrary Lagrangian Eulerian (ALE) framework, offers numerical efficiency, compared to grid related discretization methods. The latter would require modelling not only of the liquid metal phase, but also of the vacuum, which would necessitate special numerical schemes, suitable for high density ratios. In addition, SPH-ALE allows for the easy deformation handling of the droplet, compared to interface tracking methods where strong mesh deformation and most likely degenerate cells occur. Then, the laser-induced deformation of the droplet is simulated and cavitation formation is predicted. The ablation pattern due to the emitted shock wave and the two low pressure lobes created in the middle of the droplet because of the rarefaction waves are demonstrated. The liquid metal droplet is subject to material rupture, when the shock wave, the rarefaction wave and the free surface interact. Similar patterns regarding the wave dynamics and the hollow structure have been also noticed in prior experimental studies.
Project description:BackgroundThe calculation of diffusion-controlled ligand binding rates is important for understanding enzyme mechanisms as well as designing enzyme inhibitors.MethodsWe demonstrate the accuracy and effectiveness of a Lagrangian particle-based method, smoothed particle hydrodynamics (SPH), to study diffusion in biomolecular systems by numerically solving the time-dependent Smoluchowski equation for continuum diffusion. Unlike previous studies, a reactive Robin boundary condition (BC), rather than the absolute absorbing (Dirichlet) BC, is considered on the reactive boundaries. This new BC treatment allows for the analysis of enzymes with "imperfect" reaction rates.ResultsThe numerical method is first verified in simple systems and then applied to the calculation of ligand binding to a mouse acetylcholinesterase (mAChE) monomer. Rates for inhibitor binding to mAChE are calculated at various ionic strengths and compared with experiment and other numerical methods. We find that imposition of the Robin BC improves agreement between calculated and experimental reaction rates.ConclusionsAlthough this initial application focuses on a single monomer system, our new method provides a framework to explore broader applications of SPH in larger-scale biomolecular complexes by taking advantage of its Lagrangian particle-based nature.
Project description:A modified smoothed particle hydrodynamic (MSPH) computational technique was utilized to simulate molten particle motion and infiltration speed on multi-scale analysis levels. The radial velocity and velocity gradient of molten alumina, iron infiltration in the TiC product and solidification rate, were predicted during centrifugal self-propagating high-temperature synthesis (SHS) simulation, which assisted the coating process by MSPH. The effects of particle size and temperature on infiltration and solidification of iron and alumina were mainly investigated. The obtained results were validated with experimental microstructure evidence. The simulation model successfully describes the magnitude of iron and alumina diffusion in a centrifugal thermite SHS and Ti + C hybrid reaction under centrifugal acceleration.
Project description:The failure of the aortic heart valve is common, resulting in deterioration of the pumping function of the heart. For the end stage valve failure, bi-leaflet mechanical valve (most popular artificial valve) is implanted. However, due to its non-physiological behaviour, a significant alteration is observed in the normal haemodynamics of the aorta. While in-vivo experimentation of a human heart valve (native and artificial) is a formidable task, in-silico study using computational fluid dynamics (CFD) with fluid structure interaction (FSI) is an effective and economic tool for investigating the haemodynamics of natural and artificial heart valves. In the present work, a haemodynamic model of a natural and mechanical heart valve has been developed using meshless particle-based smoothed particle hydrodynamics (SPH). In order to further enhance its clinical relevance, this study employs a patient-specific vascular geometry and presents a successful validation against traditional finite volume method and 4D magnetic resonance imaging (MRI) data. The results have demonstrated that SPH is ideally suited to simulate the heart valve function due to its Lagrangian description of motion, which is a favourable feature for FSI. In addition, a novel methodology for the estimation of the wall shear stress (WSS) and other related haemodynamic parameters have been proposed from the SPH perspective. Finally, a detailed comparison of the haemodynamic parameters has been carried out for both native and mechanical aortic valve, with a particular emphasis on the clinical risks associated with the mechanical valve.
Project description:Coffee extraction involves many complex physical and transport processes extremely difficult to model. Among the many factors that will affect the final quality of coffee, the microstructure of the coffee matrix is one of the most critical ones. In this article, we use X-ray micro-computed (microCT) technique to capture the microscopic details of coffee matrices at particle-level and perform fluid dynamics simulation based on the smoothed particle hydrodynamics method (SPH) with the 3D reconstructured data. Information like flow permeability and tortuosity of the matrices can be therefore obtained from our simulation. We found that inertial effects can be quite significant at the normal pressure gradient conditions typical for espresso brewing, and can provide an explanation for the inconsistency of permeability measurements seen in the literature. Several types of coffee powder are further examined, revealing their distinct microscopic details and resulting flow features. By comparing the microCT images of pre- and post-extraction coffee matrices, it is found that a decreasing porosity profile (from the bottom-outlet to the top-inlet) always develops after extraction. This counterintuitive phenomenon can be explained using a pressure-dependent erosion model proposed in our prior work. Our results reveal not only some important hydrodynamic mechanisms of coffee extraction, but also show that microCT scan can provide useful microscopic details for coffee extraction modelling. MicroCT scan establishes the basis for a data-driven numerical framework to explore the link between coffee powder microstructure and extraction dynamics, which is the prerequisite to study the time evolution of both volatile and non-volatile organic compounds and then the flavour profile of coffee brews.
Project description:We present the validation of the hybrid sSSA-SDPD method for advection-diffusion-reaction problems coupled to discrete biochemical systems, as presented in the publication "A hybrid smoothed dissipative particle dynamics (SDPD) spatial stochastic simulation algorithm (sSSA) for advection-diffusion-reaction problems" (Drawert et al., 2019). We validate 1D diffusion, and 2D diffusion cases against their analytical solutions. We present graphs and tables of data showing the error in the simulation method.
Project description:Semiconductor devices are strong competitors in the race for the development of quantum computational systems. In this work, we interface two semiconductor building blocks of different dimensionalities with complementary properties: (1) a quantum dot hosting a single exciton and acting as a nearly ideal single-photon emitter and (2) a quantum well in a 2D microcavity sustaining polaritons, which are known for their strong interactions and unique hydrodynamic properties, including ultrafast real-time monitoring of their propagation and phase mapping. In the present experiment, we can thus observe how the injected single particles propagate and evolve inside the microcavity, giving rise to hydrodynamic features typical of macroscopic systems despite their genuine intrinsic quantum nature. In the presence of a structural defect, we observe the celebrated quantum interference of a single particle that produces fringes reminiscent of wave propagation. While this behavior could be theoretically expected, our imaging of such an interference pattern, together with a measurement of antibunching, constitutes the first demonstration of spatial mapping of the self-interference of a single quantum particle impinging on an obstacle.
Project description:By combining the discrete element method (DEM) with computational fluid dynamics (CFD), this study proposes a three-dimensional CFD-DEM fluid-solid coupling microscopic computational model for analyzing the micromechanisms of instability and failure in a coal-bearing soil slope during rainfall. The CFD-DEM fluid-solid coupling model indicated that the main failure mode of the coal-bearing soil slopes was rainwater washing, and the slope sliding surface was predicted as an approximately linear segment. The adaptability of this numerical method was verified by comparing its results with those of rain-washed slopes in an outdoor model test. Rainfall changed the microscopic parameters such as the force chain, coordination number, and porosity of the slope soil particles. The porosity of the slope's top particles increased from 0.35 in the initial state to 0.80 in the unstable state. This change was directly related to the macroscopic mechanics of the slope soil. By analyzing the changes in the microscopic parameters of the particles, the failure evolution law of the coal-bearing soil slopes during rainfall was explored from a microscopic perspective. This study not only provides a theoretical basis for the protection design and construction of coal-bearing soil slopes in the region but can also analyze macroscopic mechanical laws of discrete media from a micro-macro perspective in geotechnical engineering.