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Active matter drives its constituent agents to move autonomously by harnessing free energy, leading to diverse emergent states with relevance to both biological processes and inanimate functionalities. Achieving maximum reconfigurability of active materials with minimal control remains a desirable yet challenging goal. Here, we employ large-scale, agent-resolved simulations to demonstrate that modulating the activity of a wet phoretic medium alone can govern its solid-liquid-gas phase transitions and, subsequently, laminar-turbulent transitions in fluid phases, thereby shaping its emergent pattern. These two progressively emerging transitions, hitherto unreported, bring us closer to perceiving the parallels between active matter and traditional matter. Our work reproduces and reconciles seemingly conflicting experimental observations on chemically active systems, presenting a unified landscape of phoretic collective dynamics. These findings enhance the understanding of long-range, many-body interactions among phoretic agents, offer new insights into their non-equilibrium collective behaviors, and provide potential guidelines for designing reconfigurable materials.

Immersed boundary-lattice Boltzmann method (IB-LBM) has been widely used for simulation of particle-laden flows recently. However, it was limited to small-scale simulations with no more than O(103) particles. Here, we expand IB-LBM for massive particle-laden flows with more than O(104) particles by two sequential works. First is the Part I: serial computing on a single CPU core and following the Part II: parallel computing on many CPU cores. In this Part I paper, a highly efficient and localized implementation of IB-LBM is proposed for serial computing. We optimize in three main aspects: swap algorithm for incompressible LBM, local grid-to-point algorithm for IBM and improved grid search algorithm for particle pair short-range interaction. In addition, symmetry algorithm is proposed for the half-calculation of LB collision and external force term. The computational performance on a single CPU core is analyzed. Different scales of two dimensional (2D) and three-dimensional (3D) particles settling in closed cavities are used for testing. The solid volume fraction is varied from 0 to 0.40. Simulation results demonstrate that all calculation parts are dramatically decreased by the improved algorithm. For the particle-free flows, the Mega Lattice Site Update per Second (MLUPS) can be achieved up to 36 (2D) and 12 (3D) using the improved algorithm. For the particle-laden flows, MLUPS can be achieved no lower than 15 (2D) and 7 (3D) in the simulations of dense flows. At last, we discuss the potential of the new algorithms for the high-performance computation of the large-scale systems of particle-laden flows with MPI parallel technique., Comment: 30 pages,20 figures

In recent years, manipulation of particles by inertial microfluidics has attracted significant attention. Most studies focused on inertial focusing of particles suspended within liquid phase, in which the ratio of the density of the particle to that of the medium is O(1). the investigation on manipulation of aerosol particles in an inertial microfluidics is very limited. In this study, we numerically investigate the aerosol particle motion in a 3D straight microchannel with rectangular cross section by fully resolved simulation of the particle-air flow based on the contiuum model. The air flow is modeled by the Navier-Stokes equations, and particle's motions, including transition and rotation, are governed, respectively, by the Newton's second law and the Euler equations without using any approximation models for the lift and drag forces. The coupled mathematical model is numerically solved by combining immersed boundary with lattice Boltzmann method (IB-LBM). We find that the Reynolds numer, the particle's initial position, particle's density, and particle's diameter are the influential parameters in this process. the equilibrium positions and their stabilities of aerosols are different form those suspended in liquid., Comment: 21pages, 13figures

A boundary thickening-based direct forcing (BTDF) immersed boundary (IB) method is proposed for fully resolved simulation of incompressible viscous flows laden with finite size particles. By slightly thickening the boundary thickness, the local communication between the Lagrangian points on the solid boundary and their neighboring fluid Eulerian grids is improved, based on an implicit direct forcing (IDF) approach and a partition-of-unity condition for the regularized delta function. This strategy yields a simple, yet much better imposition of the no-slip and no-penetration boundary conditions than the conventional direct forcing (DF) technique. In particular, the present BTDF method can achieve a numerical accuracy comparable with other representative improved methods, such as multi-direct forcing (MDF), implicit velocity correction (IVC) and the reproducing kernel particle method (RKPM), while its computation cost remains much lower and nearly equivalent to the conventional DF scheme. The dependence of the optimum thickness value of boundary thickening on the form of the regularized delta functions is also revealed. By coupling the lattice Boltzmann method (LBM) with BTDF-IB, the robustness of the present BTDF IB method is demonstrated using numerical simulations of creeping flow (Re=0.1), steady vortex separating flow (Re=40) and unsteady vortex shedding flow (Re=200) around a circular cylinder., Comment: 29 pages, 16 figures