相关论文: Large-Scale DNS of Gas-Solid Flow on Mole-8.5

We present a high-order implicit large eddy simulation (ILES) approach for simulating flows at the nearly incompressible regime. Our methodology based on utilization of a nodal discontinuous Galerkin (DG) discretization of the Boltzmann…

We present the GPU version of DeePMD-kit, which, upon training a deep neural network model using ab initio data, can drive extremely large-scale molecular dynamics (MD) simulation with ab initio accuracy. Our tests show that the GPU version…

The Lagrangian vortex method offers an alternative numerical approach for direct numerical simulation of turbulence. The fact that it uses the fast multipole method (FMM)--a hierarchical algorithm for N-body problems with highly scalable…

Rod bundle flows are prevalent in nuclear engineering for both light water reactors (LWR) and advanced reactor concepts. Unlike canonical channel flow, the flow in rod bundles presents some unique characteristics, notably due to the…

Typical biomolecular systems such as cellular membranes, DNA, and protein complexes are highly charged. Thus, efficient and accurate treatment of electrostatic interactions is of great importance in computational modelling of such systems.…

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)…

In this work, we detail the GPU-porting of an in-house pseudo-spectral solver tailored towards large-scale simulations of interface-resolved simulation of drop- and bubble-laden turbulent flows. The code relies on direct numerical…

Well designed lattice-Boltzmann codes exploit the essentially embarrassingly parallel features of the algorithm and so can be run with considerable efficiency on modern supercomputers. Such scalable codes permit us to simulate the behaviour…

This master thesis introduces the idea of dynamic cutoffs in molecular dynamics simulations, based on the distance between particles and the interface, and presents a solution for detecting interfaces in real-time. Our dynamic cutoff method…

Fluid dynamics simulations with the lattice Boltzmann method (LBM) are very memory-intensive. Alongside reduction in memory footprint, significant performance benefits can be achieved by using FP32 (single) precision compared to FP64…

In this paper, we develop a three-dimensional multiple-relaxation-time lattice Boltzmann method (MRT-LBM) based on a set of non-orthogonal basis vectors. Compared with the classical MRT-LBM based on a set of orthogonal basis vectors, the…

We report scaling results on the world's largest supercomputer of our recently developed Billions-Body Molecular Dynamics (BBMD) package, which was especially designed for massively parallel simulations of the atomic dynamics in structural…

Modeling and direct numerical simulation of particle-laden flows have a tremendous variety of applications in science and engineering across a vast spectrum of scales from pollution dispersion in the atmosphere, to fluidization in the…

We present an efficient open-source implementation of the multiparticle collision dynamics (MPCD) algorithm that scales to run on hundreds of graphics processing units (GPUs). We especially focus on optimizations for modern GPU…

We present a computational method for extreme-scale simulations of incompressible turbulent wall flows at high Reynolds numbers. The numerical algorithm extends a popular method for solving second-order finite differences Poisson/Helmholtz…

The aim of this paper is twofold: the first is to formulate and validate a multi-scale discrete Boltzmann method (DBM) based on density functional kinetic theory for thermal multiphase flow systems, ranging from continuum to transition flow…

The primary goal of the EuroHPC JU project SCALABLE is to develop an industrial Lattice Boltzmann Method (LBM)-based computational fluid dynamics (CFD) solver capable of exploiting current and future extreme scale architectures, expanding…

The maximal entropy moment method (MEM) is systematic solution of the challenging problem: generating extended hydrodynamic equations valid for both dense and rarefied gases. However, simulating MEM suffers from a computational expensive…

We describe a high-performance implementation of the lattice-Boltzmann method (LBM) for sparse geometries on graphic processors. In our implementation we cover the whole geometry with a uniform mesh of small tiles and carry out calculations…

The recent evolution of software and hardware technologies is leading to a renewed computational interest in Particle-In-Cell (PIC) methods such as the Material Point Method (MPM). Indeed, provided some critical aspects are properly…