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Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…

Machine Learning · Computer Science 2022-04-27 Zijie Li , Kazem Meidani , Prakarsh Yadav , Amir Barati Farimani

Recent theoretical progress using multiscale asymptotic analysis has revealed various possible regimes of stratified turbulence. Notably, buoyancy transport can either be dominated by advection or diffusion, depending on the effective…

Fluid Dynamics · Physics 2024-11-20 Pascale Garaud , Greg P. Chini , Laura Cope , Kasturi Shah , Colm-cille P. Caulfield

Standard eddy viscosity models, while robust, cannot represent backscatter and have severe difficulties with complex turbulence not at statistical equilibrium. This report gives a new derivation of eddy viscosity models from an equation for…

Numerical Analysis · Mathematics 2015-03-05 Nan Jiang , William Layton

High-order Discontinuous Galerkin (DG) methods offer excellent accuracy for turbulent flow simulations, especially when implemented on GPU-oriented architectures that favor very high polynomial orders. On modern GPUs, high-order polynomial…

Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural…

Machine Learning · Computer Science 2025-12-01 Niteesh Midlagajni , Constantin A. Rothkopf

Shell models have found wide application in the study of hydrodynamic turbulence because they are easily solved numerically even at very large Reynolds numbers. Although bereft of spatial variation, they accurately reproduce the main…

Chaotic Dynamics · Physics 2021-08-11 Dario Vincenzi , John D. Gibbon

Science-based simulation tools such as Finite Element (FE) models are routinely used in scientific and engineering applications. While their success is strongly dependent on our understanding of underlying governing physical laws, they…

Machine Learning · Computer Science 2021-03-31 Navid Zobeiry , Anoush Poursartip

We present two families of sub-grid scale (SGS) turbulence models developed for large-eddy simulation (LES) purposes. Their development required the formulation of physics-informed robust and efficient Deep Learning (DL) algorithms which,…

Fluid Dynamics · Physics 2023-07-20 Rikhi Bose , Arunabha M. Roy

The computational cost of fluid simulations increases rapidly with grid resolution. This has given a hard limit on the ability of simulations to accurately resolve small scale features of complex flows. Here we use a machine learning…

Computational Physics · Physics 2021-06-23 Jiawei Zhuang , Dmitrii Kochkov , Yohai Bar-Sinai , Michael P. Brenner , Stephan Hoyer

If sufficient training data are available, neural networks are attractive for representing missing physics in simulations, such as sub-grid scales in the coarse-mesh particle-turbulence system we consider. Physical constraints are known to…

Fluid Dynamics · Physics 2026-05-01 G. Saltar Rivera , L. Villafane , J. B. Freund

We analyze the phenomenon of spontaneous stochasticity in fluid dynamics formulated as the nonuniqueness of solutions resulting from viscosity at infinitesimal scales acting through intermediate on large scales of the flow. We study the…

Fluid Dynamics · Physics 2016-01-18 Alexei A. Mailybaev

We live in an age in which high-performance computing is transforming the way we do science. Previously intractable problems are now becoming accessible by means of increasingly realistic numerical simulations. One of the most enduring and…

Machine learning (ML)-based models have demonstrated high skill and computational efficiency, often outperforming conventional physics-based models in weather and subseasonal predictions. While prior studies have assessed their fidelity in…

Atmospheric and Oceanic Physics · Physics 2026-02-13 Ziming Chen , L. Ruby Leung , Wenyu Zhou , Jian Lu , Sandro W. Lubis , Ye Liu , Chuan-Chieh Chang , Bryce E. Harrop , Ya Wang , Mingshi Yang , Gan Zhang , Yun Qian

We develop time-series machine learning (ML) methods for closure modeling of the Unsteady Reynolds Averaged Navier Stokes (URANS) equations applied to stably stratified turbulence (SST). SST is strongly affected by fine balances between…

Active turbulence is a paradigmatic and fascinating example of self-organized motion at large scales occurring in active matter. We employ massive hydrodynamic simulations of suspensions of resolved model microswimmers to tackle the…

Soft Condensed Matter · Physics 2025-03-18 Antonio Gascó , Ignacio Pagonabarraga , Andrea Scagliarini

In this paper, we discuss the incorporation of dynamic subgrid scale (SGS) models in the lattice-Boltzmann method (LBM) for large-eddy simulation (LES) of turbulent flows. The use of a dynamic procedure, which involves sampling or…

Computational Physics · Physics 2015-05-13 Kannan N. Premnath , Martin J. Pattison , Sanjoy Banerjee

In this work, we present a novel data-based approach to turbulence modelling for Large Eddy Simulation (LES) by artificial neural networks. We define the exact closure terms including the discretization operators and generate training data…

Computational Engineering, Finance, and Science · Computer Science 2019-10-09 Andrea D. Beck , David G. Flad , Claus-Dieter Munz

Turbulent shear flows have triggered fundamental research in nonlinear dynamics, like transition scenarios, pattern formation and dynamical modeling. In particular, the control of nonlinear dynamics is subject of research since decades. In…

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

Machine learning techniques have been applied to enhance turbulence modeling in recent years. However, the "black box" nature of most machine learning techniques poses significant interpretability challenges in improving turbulence models.…

Fluid Dynamics · Physics 2025-08-22 Boqian Zhang , Juanmian Lei
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