Related papers: Multiscale simulation of rarefied polyatomic gas f…
Recently, the general synthetic iterative scheme (GSIS) has been proposed to find the steady-state solution of the Boltzmann equation in the whole range of gas rarefaction, where its fast-converging and asymptotic-preserving properties lead…
We present the formulation of a kinetic mapping scheme between the Direct Simulation Monte Carlo (DSMC) and the Lattice Boltzmann Method (LBM) which is at the basis of the hybrid model used to couple the two methods in view of efficiently…
Hybrid methods for simulating rarefied gas flows reduce computational cost by coupling a particle-based model, typically the direct simulation Monte Carlo (DSMC) method, to a continuum-based solver, i.e. a computational fluid dynamics (CFD)…
This paper enhances the Diffuse Interface Method (DIM) for simulating compressible multiphase flows across all Mach numbers by addressing the accuracy challenges posed at low Mach regimes. A correction to the Riemann solver is introduced,…
Accurate prediction of rarefied gas flows is important for space vehicle design, particularly in rarefied regimes where the Navier-Stokes equations are no more valid. While the direct simulation Monte Carlo (DSMC) method acts as a numerical…
A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…
The unified gas kinetic scheme (UGKS) is a direct modeling method based on the gas dynamical model on the mesh size and time step scales. With the implementation of particle transport and collision in a time-dependent flux function, the…
Deterministic solutions of the Boltzmann equation represent a real challenge due to the enormous computational effort which is required to produce such simulations and often stochastic methods such as Direct Simulation Monte Carlo (DSMC)…
We present a promising coarse-graining strategy for linking micro- and mesoscales of soft matter systems. The approach is based on effective pairwise interaction potentials obtained from detailed atomistic molecular dynamics (MD)…
The gas-kinetic scheme (GKS) provides high computational efficiency and accuracy for continuum flow simulations but is unable to reliably capture rarefaction effects. In contrast, although the discrete velocity method (DVM) is better suited…
This manuscript derives adjoint equations for the numerical solution of the spatially inhomogeneous Boltzmann equation using Direct Simulation Monte Carlo (DSMC). The formulation accounts for spatial transport and a range of boundary…
The hypersonic flow around near-space vehicles constitutes a multi-scale flow problem. Due to insufficient molecular collisions to achieve equilibrium, rarefied gas effects are present in the flow field. Thus, numerical methods capable of…
We describe collective-move Monte Carlo algorithms designed to approximate the overdamped dynamics of self-assembling nanoscale components equipped with strong, short-ranged and anisotropic interactions. Conventional Monte Carlo simulations…
An implicit scheme for steady state solutions of diatomic gas flow is presented. The method solves the Rykov model equation in the finite volume discrete velocity method (DVM) framework, in which the translational and rotational degrees of…
We develop an online optimisation algorithm for in situ calibration of collision models in simulations of rarefied gas flows. The online optimised collision models are able to achieve similar accuracy to Direct Molecular Simulation (DMS) at…
Gaseous thermal transpiration flows through a rectangular micro-channel are simulated by the direct simulation BGK (DSBGK) method. These flows are rarefied, within the slip and transitional flow regimes, which are beyond many traditional…
The Kinetic Monte Carlo (KMC) method has become an important tool for examination of phenomena like surface diffusion and thin film growth because of its ability to carry out simulations for time scales that are relevant to experiments. But…
Multiscale simulation methods have been developed based on the local stress sampling strategy and applied to three flow problems with different difficulty levels: (a) general flow problems of simple fluids, (b) parallel (one-dimensional)…
Discrete particle simulation, a combined approach of computational fluid dynamics and discrete methods such as DEM (Discrete Element Method), DSMC (Direct Simulation Monte Carlo), SPH (Smoothed Particle Hydrodynamics), PIC…
Adjoint based shape optimization is a powerful technique in fluid-dynamics optimization, capable of identifying an optimal shape within only dozens of design iterations. However, when extended to rarefied gas flows, the computational cost…