相关论文: A Dynamic Subgrid Scale Model for Large Eddy Simul…
We study the phase behaviour of the Zwanzig model of suspensions of hard rods, allowing for polydispersity in the lengths of the rods. In spite of the simplified nature of the model (rods are restricted to lie along one of three orthogonal…
Classical molecular dynamics simulations have recently become a standard tool for the study of electrochemical systems. State-of-the-art approaches represent the electrodes as perfect conductors, modelling their responses to the charge…
In this paper we present a numerical method for hydrodynamic models that arise from time dependent density functional theories of freezing. The models take the form of compressible Navier-Stokes equations whose pressure is determined by the…
We extend the Nakajima-Zwanzig projection operator technique to the determination of multitime correlation functions of open quantum systems. The correlation functions are expressed in terms of certain multitime homogeneous and…
Data-driven turbulence modeling is experiencing a surge in interest following algorithmic and hardware developments in the data sciences. We discuss an approach using the differentiable physics paradigm that combines known physics with…
An optimisation scheme is developed to accurately represent the sub-grid scale forcing of a high dimensional chaotic ocean system. Using a simple parameterisation scheme, the velocity components of a 30km resolution shallow water ocean…
Takagi-Sugeno-Kang (TSK) fuzzy systems are very useful machine learning models for regression problems. However, to our knowledge, there has not existed an efficient and effective training algorithm that ensures their generalization…
Dynamic mechanical metamaterials (MMs) are artificial media composed of periodic micro-structures, designed to manipulate wave propagation. Modeling and designing these materials can be computationally demanding due to the broad design…
We derive a microscopic theory for the structural dynamics in the vicinity of the glass transition for a liquid exposed to a one-dimensional periodic potential. The periodic potential breaks translational invariance, in particular, the…
The recent approach based on Hamiltonian systems and the implicit parametri\-za\-tion theorem, provides a general fixed domain approximation method in shape optimization problems, using optimal control theory. In previous works, we have…
To address the magnetization dynamics in ferromagnetic materials described by the Landau-Lifshitz-Gilbert equation under large damping parameters, a third-order accurate numerical scheme is developed by building upon a second-order method…
We present efficient numerical methods for the simulation of small magnetization oscillations in three-dimensional micromagnetic systems. Magnetization dynamics is described by the Landau-Lifshitz-Gilbert (LLG) equation, linearized in the…
A dynamical effective medium theory is presented for quantum spins and higher multipoles such as quadrupole moments. The theory is a generalization of the spherical model approximation for the Ising model, and is accurate up to O(1/z_n)…
We propose an accelerated computational fluid dynamics framework based on a hybrid Fourier Neural Operator-Lattice Boltzmann Method (FNO-LBM) for steady and unsteady weakly compressible flows. FNO-based initialization significantly…
Approximate Deconvolution (AD) has emerged as a promising closure for Large-Eddy Simulation (LES) in complex multi-physics flows, where the conventional pure Dynamic Eddy-Viscosity (DEV) models experience issues. In this research, we…
Based on the collision rules for hard needles we derive a hydrodynamic equation that determines the coupled translational and rotational dynamics of a tagged thin rod in an ensemble of identical rods. Specifically, based on a…
Structural subgrid stress models for large eddy simulation often allow for backscatter of energy from unresolved to resolved turbulent scales, but excessive model backscatter can eventually result in numerical instability. A commonly…
Entropic lattice Boltzmann methods have been developed to alleviate intrinsic stability issues of lattice Boltzmann models for under-resolved simulations. Its reliability in combination with moving objects was established for various…
To investigate the impact of non-linear interactions on dynamic coarse graining, we study a simplified model system, featuring a tracer particle in a complex environment. Using a projection operator formalism and computer simulations, we…
Optimal exploitation of supercomputing resources for the evaluation of electrostatic forces remains a challenge in molecular dynamics simulations of very large systems. The most efficient methods are currently based on particle-mesh Ewald…