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We provide a numerical platform for the analysis of particle shape and topology effect on the macroscopic behavior of granular media. We work within a Discrete Element Method (DEM) framework and apply a peridynamic model for deformable…

Soft Condensed Matter · Physics 2023-08-09 Debdeep Bhattacharya , Robert P. Lipton

High-throughput approximations of quantum mechanics calculations and combinatorial experiments have been traditionally used to reduce the search space of possible molecules, drugs and materials. However, the interplay of structural and…

Quantum Physics · Physics 2019-10-29 Alain Tchagang , Julio Valdés

The simulation of granular media is usually done either with event-driven codes that treat collisions as instantaneous but have difficulty with very dense packings, or with molecular dynamics methods that approximate rigid grains using a…

Materials Science · Physics 2015-05-27 Nicholas Guttenberg

ParticLS (\emph{Partic}le \emph{L}evel \emph{S}ets) is a software library that implements the discrete element method (DEM) and meshfree methods. ParticLS tracks the interaction between individual particles whose geometries are defined by…

Mathematical Software · Computer Science 2022-04-26 Andrew D. Davis , Brendan A. West , Nathanael J. Frisch , Devin T. O'Connor , Matthew D. Parno

We treat the accurate simulation of the calcination reaction in particles, where the particles are large and, thus, the inner-particle processes must be resolved. Because these processes need to be described with coupled partial…

Fluid Dynamics · Physics 2023-11-28 Lucas Reineking , Torben Bergold , Enric Illana , Viktor Scherer , Martin Mönnigmann

This paper outlines a numerical algorithm that could be used for simulating full 3D dynamics of magnetic fluid droplet shapes in external magnetic fields, by solving boundary integral equations. The algorithm works with arbitrary droplet…

Fluid Dynamics · Physics 2022-03-18 Aigars Langins , Andris P. Stikuts , Andrejs Cēbers

The numerical simulation of physical processes in the underground frequently entails challenges related to the geometry and/or data. The former are mainly due to the shape of sedimentary layers and the presence of fractures and faults,…

Numerical Analysis · Mathematics 2020-02-28 Alessio Fumagalli , Anna Scotti , Luca Formaggia

The aim of this paper is to provide a survey of the state of the art in the finite element approach to the Immersed Boundary Method (FE-IBM) which has been investigated by the authors during the last decade. In a unified setting, we present…

Numerical Analysis · Mathematics 2014-07-22 Daniele Boffi , Lucia Gastaldi

In vascular targeted therapies, blood-borne carriers should realize sustained drug release from the luminal side towards the diseased tissue. In this context, such carriers are required to firmly adhere to the vessel walls for a sufficient…

Fluid Dynamics · Physics 2022-10-13 A. Coclite , G. Pascazio , M. D. de Tullio , P. Decuzzi

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…

Computer Vision and Pattern Recognition · Computer Science 2024-10-14 Jiaxu Wang , Jingkai Sun , Junhao He , Ziyi Zhang , Qiang Zhang , Mingyuan Sun , Renjing Xu

A three-dimensional Multiphysics Lattice Discrete Particle Model (M-LDPM) framework is formulated to investigate the fracture permeability behavior of shale. The framework features a dual lattice system mimicking the mesostructure of the…

Geophysics · Physics 2019-02-12 Weixin Li , Xinwei Zhou , J. William Carey , Luke P. Frash , Gianluca Cusatis

The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…

Computational Physics · Physics 2017-05-11 Daniel Queteschiner , Thomas Lichtenegger , Simon Schneiderbauer , Stefan Pirker

In this article, we present a new unified finite element method (UFEM) for simulation of general Fluid-Structure interaction (FSI) which has the same generality and robustness as monolithic methods but is significantly more computationally…

Computational Engineering, Finance, and Science · Computer Science 2016-08-18 Yongxing Wang , Peter Jimack , Mark Walkley

We describe and summarize a class of minimal numerical models emerged from recent development of simulation methods for dense particle suspensions in overdamped linear flows. The main ingredients include (i) a frame-invariant, short-range…

Soft Condensed Matter · Physics 2020-05-27 Zhouyang Ge , Luca Brandt

This article presents a comparison of various implementations of the Lattice Discrete Particle Model (LDPM) for the numerical simulation of concrete and other heterogeneous quasibrittle materials. The comparison involves the use of…

The accurate description of fluid flow and transport in fractured porous media is of paramount importance to capture the macroscopic behaviour of an oil reservoir, a geothermal system, or a CO2 sequestration site, to name few applications.…

Numerical Analysis · Mathematics 2019-08-01 Alessio Fumagalli , Eirik Keilegavlen

High-accuracy, high-efficiency physics-based fluid-solid interaction is essential for reality modeling and computer animation in online games or real-time Virtual Reality (VR) systems. However, the large-scale simulation of incompressible…

Graphics · Computer Science 2023-05-08 Jin Li , Yang Gao , Ju Dai , Shuai Li , Aimin Hao , Hong Qin

Discrete Fracture and Matrix (DFM) models describe fractured porous media as complex sets of 2D planar polygons embedded in a 3D matrix representing the surrounding porous medium. The numerical simulation of the flow in a DFM requires the…

Numerical Analysis · Mathematics 2020-01-31 M. F. Benedetto , A. Borio , F. Kyburg , J. Mollica , S. Scialo

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…

Computational Physics · Physics 2018-05-23 Han Wang , Linfeng Zhang , Jiequn Han , Weinan E

The packing behavior of powders is significantly influenced by various types of inter-particle attractive forces, including adhesion and non-bonded van der Waals forces [1, 2, 3, 4, 5, 6]. Alongside particle size and shape distributions,…