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In this paper, a hybrid quasi-static atomistic simulation method at finite temperature is developed, which combines the advantages of MD for thermal equilibrium and atomic-scale finite element method (AFEM) for efficient equilibration. Some…

Atomic Physics · Physics 2015-06-17 Ran Xu , Bin Liu

The promise of machine learning has been explored in a variety of scientific disciplines in the last few years, however, its application on first-principles based computationally expensive tools is still in nascent stage. Even with the…

Data Analysis, Statistics and Probability · Physics 2019-07-16 Prashant Kumar , Kushal Sinha , Nandkishor Nere , Yujin Shin , Raimundo Ho , Ahmad Sheikh , Laurie Mlinar

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

A comparative study on mesh-based and mesh-less Computational Fluid Dynamics (CFD) approaches coupled with the Discrete Element Method (DEM) is presented. As the mesh-based CFD approach a Finite Volume Method (FVM) is used. A Smoothed…

Fluid Dynamics · Physics 2016-09-28 D. Markauskas , H. Kruggel-Emden , R. Sivanesapillai , H. Steeb

The finite element method (FEM) is among the most commonly used numerical methods for solving engineering problems. Due to its computational cost, various ideas have been introduced to reduce computation times, such as domain decomposition,…

Computational Engineering, Finance, and Science · Computer Science 2019-11-07 Andrea Mendizabal , Pablo Márquez-Neila , Stéphane Cotin

This paper introduces DEM-Engine, a new submodule of Project Chrono, that is designed to carry out Discrete Element Method (DEM) simulations. Based on spherical primitive shapes, DEM-Engine can simulate polydisperse granular materials and…

Computational Engineering, Finance, and Science · Computer Science 2023-11-10 Ruochun Zhang , Bonaventura Tagliafierro , Colin Vanden Heuvel , Shlok Sabarwal , Luning Bakke , Yulong Yue , Xin Wei , Radu Serban , Dan Negrut

We introduce a new Eulerian simulation framework for liquid animation that leverages both finite element and finite volume methods. In contrast to previous methods where the whole simulation domain is discretized either using the finite…

Graphics · Computer Science 2023-01-18 Tatsuya Koike , Shigeo Morishima , Ryoichi Ando

In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…

Numerical Analysis · Mathematics 2013-07-12 A. Mauri , R. Sacco , M. Verri

The use of computational techniques in the design of dry powder inhalers (DPI), as well as in unravelling the complex mechanisms of drug aerosolization, has increased significantly in recent years. Computational fluid dynamics (CFD) is used…

Applied Physics · Physics 2025-09-15 Raffaele Ponzini , Roberto Da Vià , Simone Bnà , Ciro Cottini , Andrea Benassi

This paper presents a novel methodology for fast simulation and analysis of transient heat transfer. The proposed methodology is suitable for real-time applications owing to (i) establishing the solution method from the viewpoint of…

Computational Engineering, Finance, and Science · Computer Science 2021-12-30 Jinao Zhang , Sunita Chauhan

A hybrid framework integrating the Virtual Element Method (VEM) with deep learning is presented as an initial step toward developing efficient and flexible numerical models for one-dimensional Euler-Bernoulli beams. The primary aim is to…

Machine Learning · Computer Science 2025-01-14 Paulo Akira F. Enabe , Rodrigo Provasi

We introduce two improvements in the numerical scheme to simulate collision and slow shearing of irregular particles. First, we propose an alternative approach based on simple relations to compute the frictional contact forces. The approach…

Materials Science · Physics 2011-03-15 Andres A. Pena , Pedro G. Lind , Hans J. Herrmann

The simulation of heat flow through heterogeneous material is important for the design of structural and electronic components. Classical analytical solutions to the heat equation PDE are not known for many such domains, even those having…

Numerical Analysis · Mathematics 2019-05-21 Andrew Loeb , Christopher Earls

A substantial number of algorithms exists for the simulation of moving particles suspended in fluids. However, finding the best method to address a particular physical problem is often highly non-trivial and depends on the properties of the…

Soft Condensed Matter · Physics 2015-02-10 Jens Harting , Stefan Frijters , Marco Ramaioli , Martin Robinson , Dietrich E. Wolf , Stefan Luding

This article presents the development and validation of a hybrid multi-sphere discrete element framework - Rigid3D, for the simulation of granular systems with arbitrarily shaped particles in 3D space. In this DEM framework, a non-spherical…

Computational Engineering, Finance, and Science · Computer Science 2023-06-27 Fei-Liang Yuan , Martin Sommerfeld , Pradeep Muramulla , Srikanth Gopireddy , Lars Pasternak , Nora Urbanetz , Thomas Profitlich

Deformable elastic bodies in viscous and viscoelastic media constitute a large portion of synthetic and biological complex fluids. We present a parallelized 3D-simulation methodology which fully resolves the momentum balance in the solid…

Computational Physics · Physics 2019-03-11 Amir Saadat , Chris J. Guido , Gianluca Iaccarino , Eric S. G. Shaqfeh

A three-dimensional simulation model is proposed here to study the erosive wear of structure caused by solid particles, which accounts for the accumulation of surface deformation and degradation during the erosion process. Although there…

Fluid Dynamics · Physics 2025-03-04 Vinh D. X. Nguyen , A. Kiet Tieu , Damien Andre , Hongtao Zhu

We study time-dependent density segregation of granular mixtures flowing over an inclined plane. Discrete Element Method (DEM) simulations in a periodic box are performed for granular mixtures of same size and different density particles…

Soft Condensed Matter · Physics 2025-04-16 Soniya Kumawat , Vishnu Kumar Sahu , Anurag Tripathi

We introduce the multivariate decomposition finite element method for elliptic PDEs with lognormal diffusion coefficient $a=\exp(Z)$ where $Z$ is a Gaussian random field defined by an infinite series expansion $Z(\boldsymbol{y}) =…

Numerical Analysis · Mathematics 2021-09-28 Dong T. P. Nguyen , Dirk Nuyens

Computational fluid dynamics and discrete element method (CFD-DEM) coupling is an efficient and powerful tool to simulate particle-fluid systems. However, current volume-averaged CFD-DEM relying on direct grid-based mapping between the…

Fluid Dynamics · Physics 2025-06-12 Yuxiang Liu , Lu Jing , Xudong Fu , Huabin Shi