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The task of accurately locating fluid phase boundaries by means of computer simulation is hampered by problems associated with sampling both coexisting phases in a single simulation run. We explain the physical background to these problems…

Statistical Mechanics · Physics 2009-11-07 N. B. Wilding

Phase diagrams (PDs) illustrate the relative stability of competing phases under varying conditions, serving as critical tools for synthesizing complex materials. Reliable phase diagrams rely on precise free energy calculations, which are…

Materials Science · Physics 2026-02-09 Feng Zhang , Zhuo Ye , Maxim Moraru , Ying Wai Li , Weiyi Xia , Yongxin Yao , Cai-Zhuang Wang

In this work, we detail the GPU-porting of an in-house pseudo-spectral solver tailored towards large-scale simulations of interface-resolved simulation of drop- and bubble-laden turbulent flows. The code relies on direct numerical…

Fluid Dynamics · Physics 2024-06-04 Alessio Roccon

We present a decision support system for flood early warning and disaster management. It includes the models for data-driven meteorological predictions, for simulation of atmospheric pressure, wind, long sea waves and seiches; a module for…

Computational Engineering, Finance, and Science · Computer Science 2014-01-31 V. V. Krzhizhanovskaya , N. B. Melnikova , A. M. Chirkin , S. V. Ivanov , A. V. Boukhanovsky , P. M. A. Sloot

Detailed chemistry-based computational fluid dynamics (CFD) simulations are computationally expensive due to the solution of the underlying chemical kinetics system of ordinary differential equations (ODEs). Here, we introduce a novel…

Multiparticle collision dynamics (MPCD) is a relatively new algorithm of fluid flow simulations that has been applied mostly to flows around simple objects. One might ask how it behaves in more complex flows. Therefore, we extend MPCD to…

Computational Physics · Physics 2016-10-31 Maciej Matyka

Over the last two decades, lattice Boltzmann methods have become an increasingly popular tool to compute the flow in complex geometries such as porous media. In addition to single phase simulations allowing, for example, a precise…

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear…

Numerical Analysis · Mathematics 2018-03-14 Quan M. Bui , Lu Wang , Daniel Osei-Kuffuor

We present a non-iterative algorithm, FloatStepper, for coupling the motion of a rigid body and an incompressible fluid in computational fluid dynamics (CFD) simulations. The purpose of the algorithm is to remove the so-called added mass…

Fluid Dynamics · Physics 2024-04-22 Johan Roenby , Sithik Aliyar , Henrik Bredmose

Monte Carlo simulation provides a powerful tool for understanding and exploring thermodynamic phase equilibria in many-particle interacting systems. Among the most physically intuitive simulation methods is Gibbs ensemble Monte Carlo…

Statistical Mechanics · Physics 2015-06-12 Alan R. Denton , Michael P. Schmidt

The current work presents a novel COllaborative Open-source Lattice Boltzmann Method framework, so-called CooLBM. The computational framework is developed for the simulation of single and multi-component multi-phase problems, along with a…

Computational Physics · Physics 2025-02-19 R. Alamian , A. K. Nayak , M. S. Shadloo

Numerical modeling of the intensity and evolution of flood events are affected by multiple sources of uncertainty such as precipitation and land surface conditions. To quantify and curb these uncertainties, an ensemble-based simulation and…

Geophysics · Physics 2023-02-17 Junyu Wei , Xiangyu Luo , Weihong Liao , Xiaohui Lei , Jianshi Zhao , Haocheng Huang , Hao Wang

This paper presents a 2D/3D Free Surface Lattice Boltzmann Method simulation package called LBfoam for the simulation of foaming processes. The model incorporates the essential physics of foaming phenomena: gas diffusion into nucleated…

Computational Physics · Physics 2020-11-17 Mohammadmehdi Ataei , Vahid Shaayegan , Franco Costa , Sejin Han , Chul B. Park , Markus Bussmann

The bulk-synchronous parallel (BSP) model provides a framework for writing parallel programs with predictable performance. In this paper we extend the BSP model to support what we will call pseudo-streaming algorithms for accelerators. We…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-03-24 Jan-Willem Buurlage , Tom Bannink , Abe Wits

Recent progress in artificial intelligence (AI) and high-performance computing (HPC) have brought potentially game-changing opportunities in accelerating reactive flow simulations. In this study, we introduce an open-source computational…

Computational Engineering, Finance, and Science · Computer Science 2023-12-22 Runze Mao , Yingrui Wang , Min Zhang , Han Li , Jiayang Xu , Xinyu Dong , Yan Zhang , Zhi X. Chen

Biological neural networks are often modeled as systems of coupled, nonlinear, ordinary or partial differential equations. The number of differential equations used to model a network increases with the size of the network and the level of…

Neurons and Cognition · Quantitative Biology 2022-08-09 Rishika Mohanta , Collins Assisi

We present VegasFlow, a new software for fast evaluation of high dimensional integrals based on Monte Carlo integration techniques designed for platforms with hardware accelerators. The growing complexity of calculations and simulations in…

Computational Physics · Physics 2020-06-24 Stefano Carrazza , Juan M. Cruz-Martinez

In this paper, phase field models are developed for multi-component vesicle membranes with different lipid compositions and membranes with free boundary. These models are used to simulate the deformation of membranes under the elastic…

Biological Physics · Physics 2007-05-23 Xiaoqiang Wang , Qiang Du

The solution of partial differential equations (PDEs) plays a central role in numerous applications in science and engineering, particularly those involving multiphase flow in porous media. Complex, nonlinear systems govern these problems…

FLUSEPA (Registered trademark in France No. 134009261) is an advanced simulation tool which performs a large panel of aerodynamic studies. It is the unstructured finite-volume solver developed by Airbus Safran Launchers company to calculate…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-07 Jean Marie Couteyen Carpaye , Jean Roman , Pierre Brenner