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Computational load imbalance is a well-known performance issue in multiprocessor reacting flow simulations utilizing directly integrated chemical kinetics. We introduce an open-source dynamic load balancing model named DLBFoam to address…

Fluid Dynamics · Physics 2021-06-29 Bulut Tekgül , Petteri Peltonen , Heikki Kahila , Ossi Kaario , Ville Vuorinen

Solute transport in fluid-particle systems is a fundamental process in numerous scientific and engineering disciplines. The simulation of it necessitates the consideration of solid particles with intricate shapes and sizes. To address this…

Computational Engineering, Finance, and Science · Computer Science 2023-08-10 Yifeng Zhao , Pei Zhang , Stan Z. Li , S. A. Galindo-Torres

In the context of calling for low carbon emissions, lithium-ion batteries (LIBs) have been widely concerned as a power source for electric vehicles, so the fundamental science behind their manufacturing has attracted much attention in…

The aim of this paper is to propose a novel methodology to deal with micro-structural boundary conditions for the analysis of granular materials. The response of the granular assembly is modelled through the discrete element method (DEM),…

Soft Condensed Matter · Physics 2017-02-27 J. Liu , E. Bosco , A. S. J. Suiker

Efficiently generating statistically independent samples from an unnormalized probability distribution, such as equilibrium samples of many-body systems, is a foundational problem in science. In this paper, we propose Iterated Denoising…

Flexible barriers are increasingly used for the protection from debris flow in mountainous terrain due to their low cost and environmental impact. However, a numerical tool for rational design of such structures is still missing. In this…

Soft Condensed Matter · Physics 2020-07-20 Alessandro Leonardi , Falk K. Wittel , Miller Mendoza , Roman Vetter , Hans J. Herrmann

The Latent Stochastic Differential Equation (SDE) is a powerful tool for time series and sequence modeling. However, training Latent SDEs typically relies on adjoint sensitivity methods, which depend on simulation and backpropagation…

Machine Learning · Statistics 2025-06-27 Grigory Bartosh , Dmitry Vetrov , Christian A. Naesseth

Diffusion models (DMs) have achieved state-of-the-art generative performance but suffer from high sampling latency due to their sequential denoising nature. Existing solver-based acceleration methods often face significant image quality…

Computer Vision and Pattern Recognition · Computer Science 2026-03-06 Ruoyu Wang , Ziyu Li , Beier Zhu , Liangyu Yuan , Hanwang Zhang , Xun Yang , Xiaojun Chang , Chi Zhang

Predictive simulations of complex systems are essential for applications ranging from weather forecasting to drug design. The veracity of these predictions hinges on their capacity to capture the effective system dynamics. Massively…

Computational Physics · Physics 2021-10-20 Pantelis R. Vlachas , Georgios Arampatzis , Caroline Uhler , Petros Koumoutsakos

We propose an efficient method to build a simple discrete element model (DEM) that accurately simulates the oscillation of a continuum beam. The DEM is based on the Timoshenko beam theory of slender cylindrical members and their…

Other Condensed Matter · Physics 2023-09-22 Yeongtae Jang , Eunho Kim , Jinkyu Yang , Junsuk Rho

Predicting the outcome of jet-milling based on the knowledge of process parameters and starting material properties is a task still far from being accomplished. Given the technical difficulties in measuring thermodynamics, flow properties…

Computational Physics · Physics 2025-09-10 Simone Bnà , Raffaele Ponzini , Mirko Cestari , Carlo Cavazzoni , Ciro Cottini , Andrea Benassi

We present a multiscale simulation algorithm for amorphous materials, which we illustrate and validate in a canonical case of dense granular flow. Our algorithm is based on the recently proposed Spot Model, where particles in a dense random…

Soft Condensed Matter · Physics 2009-11-11 Chris H. Rycroft , Martin Z. Bazant , Gary S. Grest , James W. Landry

The paper addresses a common assumption of elastoplastic modeling: that the recoverable, elastic strain increment is unaffected by alterations of the elastic moduli that accompany loading. This assumption is found to be false for a granular…

Soft Condensed Matter · Physics 2018-12-20 Matthew R. Kuhn , Ali Daouadji

The family of Expectation-Maximization (EM) algorithms provides a general approach to fitting flexible models for large and complex data. The expectation (E) step of EM-type algorithms is time-consuming in massive data applications because…

Computation · Statistics 2018-06-21 Sanvesh Srivastava , Glen DePalma , Chuanhai Liu

Numerical solutions of partial differential equations enable a broad range of scientific research. The Dedalus Project is a flexible, open-source, parallelized computational framework for solving general partial differential equations using…

Instrumentation and Methods for Astrophysics · Physics 2020-04-29 Keaton J. Burns , Geoffrey M. Vasil , Jeffrey S. Oishi , Daniel Lecoanet , Benjamin P. Brown

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

Precision in identifying nanometer-scale device-killer defects is crucial in both semiconductor research and development as well as in production processes. The effectiveness of existing ML-based approaches in this context is largely…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Bappaditya Dey , Vic De Ridder , Victor Blanco , Sandip Halder , Bartel Van Waeyenberge

The Finite Element Method (FEM) is the gold standard for spatial discretization in numerical simulations for a wide spectrum of real-world engineering problems. Prototypical areas of interest include linear heat transfer and linear…

Numerical Analysis · Mathematics 2022-01-10 Marcelo Forets , Daniel Freire Caporale , Jorge M. Pérez Zerpa

Recent advances in deep learning have inspired numerous works on data-driven solutions to partial differential equation (PDE) problems. These neural PDE solvers can often be much faster than their numerical counterparts; however, each…

Machine Learning · Computer Science 2025-02-06 Anthony Zhou , Zijie Li , Michael Schneier , John R Buchanan , Amir Barati Farimani

The use of molecular dynamics (MD) simulations has led to promising results to unravel the atomistic origins of adhesive wear, and in particular for the onset of wear at nanoscale surface asperities. However, MD simulations come with a high…

Soft Condensed Matter · Physics 2022-06-29 Son Pham-Ba , Jean-François Molinari
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