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The origin of friction force is a very old problem in physics, which goes back to Leonardo da Vinci or even older times. Extremely important from a practical point of view, but with no satisfactory explanation yet. Many models have been…
This paper concerns the inclusion of Newton's method into an adaptive finite element method (FEM) for the solution of nonlinear partial differential equations (PDEs). It features an adaptive choice of the damping parameter in the Newton…
Recent developments in many-body potential energy representation via deep learning have brought new hopes to addressing the accuracy-versus-efficiency dilemma in molecular simulations. Here we describe DeePMD-kit, a package written in…
The motion of thin curved falling particles is ubiquitous in both nature and industry but is not yet widely examined. Here, we describe an experimental study on the dynamics of thin cylindrical shells resembling broken bottle fragments…
Gas-liquid-solid multiphase systems are ubiquitous in engineering applications, e.g. inkjet printing, spray drying and coating. Developing a numerical framework for modelling these multiphase systems is of great significance. An improved,…
The Dyson Brownian Motion (DBM) describes the stochastic evolution of $N$ points on the line driven by an applied potential, a Coulombic repulsion and identical, independent Brownian forcing at each point. We use an explicit tamed Euler…
PySDM is an open-source Python package for simulating the dynamics of particles undergoing condensational and collisional growth, interacting with a fluid flow and subject to chemical composition changes. It is intended to serve as a…
A mixed finite element method (MFEM), using dual-parametric piecewise bi-quadratic and affine (DP-Q2-P1) finite element approximations for the deformation and the pressure like Lagrange multiplier respectively, is developed and analyzed for…
This paper is devoted to the numerical solution of the non-isothermal instationary Bingham flow with temperature dependent parameters by semismooth Newton methods. We discuss the main theoretical aspects regarding this problem. Mainly, we…
We propose in this paper a Proper Generalized Decomposition (PGD) solver for reduced-order modeling of linear elastodynamic problems. It primarily focuses on enhancing the computational efficiency of a previously introduced PGD solver based…
Dispersion of low-density rigid particles with complex geometries is ubiquitous in both natural and industrial environments. We show that while explicit methods for coupling the incompressible Navier-Stokes equations and Newton's equations…
Physics-informed neural networks (PINNs) in energy form, also known as the deep energy method (DEM), offer advantages over strong-form PINNs such as lower-order derivatives and fewer hyperparameters, yet dedicated and user-friendly software…
Cryogenic electron microscopy (cryo-EM) is an invaluable technique for determining high-resolution three-dimensional structures of biological macromolecules using transmission particle images. The inherent symmetry in these macromolecules…
Learning-based simulators show great potential for simulating particle dynamics when 3D groundtruth is available, but per-particle correspondences are not always accessible. The development of neural rendering presents a new solution to…
Discrete dislocation dynamics (DDD) is a widely employed computational method to study plasticity at the mesoscale that connects the motion of dislocation lines to the macroscopic response of crystalline materials. However, the…
In this work, we provide a solution to the problem of computing collision stress in particle-tracking simulations. First, a formulation for the collision stress between particles is derived as an extension of the virial stress formula to…
A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…
In this paper we present a new thin-wall eddy current modeling code, ThinCurr, for studying inductively-coupled currents in 3D conducting structures -- with primary application focused on the interaction between currents flowing in coils,…
Atomic norm minimization is of great interest in various applications of sparse signal processing including super-resolution line-spectral estimation and signal denoising. In practice, atomic norm minimization (ANM) is formulated as…
We propose a data-driven framework for learning reduced-order moment dynamics from PDE-governed systems using Neural ODEs. In contrast to derivative-based methods like SINDy, which necessitate densely sampled data and are sensitive to…