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Physics-based simulation for fluid flow in porous media is a computational technology to predict the temporal-spatial evolution of state variables (e.g. pressure) in porous media, and usually requires high computational expense due to its…

Fluid Dynamics · Physics 2021-05-11 Bicheng Yan , Dylan Robert Harp , Bailian Chen , Rajesh J. Pawar

Complex fluids exhibit structure on a wide range of length and time scales, and hierarchical approaches are necessary to investigate all facets of their often unusual properties. The study of idealized coarse-grained models at different…

Soft Condensed Matter · Physics 2008-10-23 Friederike Schmid

Reservoir simulations help the energy industry make better decisions by predicting how fluids like oil, gas, water, hydrogen, and carbon dioxide will flow underground. To keep these predictions accurate, engineers often need to update…

Geophysics · Physics 2026-02-13 David Landa-Marbán

Traditional 1D system thermal hydraulic analysis has been widely applied in nuclear industry for licensing purposes due to its numerical efficiency. However, such codes are inherently deficient for modeling of multiscale multidimensional…

Fluid Dynamics · Physics 2025-06-24 Arsen S. Iskhakov , Nam T. Dinh , Victor Coppo Leite , Elia Merzari

Subsurface sequestration of CO2 has received attention from the global scientific community in response to climate change concerns due to higher concentrations of CO2 in the atmosphere. Mathematical models have thus been developed to aid…

Computational Physics · Physics 2020-04-28 Feyi Olalotiti-Lawal , Shusei Tanaka , Akhil Datta-Gupta

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

CO2 capture and storage is an important technology for mitigating climate change. Design of efficient strategies for safe, long-term storage requires the capability to efficiently simulate processes taking place on very different temporal…

Computational Physics · Physics 2017-10-25 Olav Møyner , Halvor Møll Nilsen

This paper introduces the model, numerical methods, algorithms and parallel implementation of a thermal reservoir simulator that designed for numerical simulations of thermal reservoir with multiple components in three dimensional domain…

Computational Engineering, Finance, and Science · Computer Science 2019-10-11 Hui Liu , Zhangxin Chen

CO2 injection into a saline aquifer crossed by a tectonic fault is studied with coupled fluid mechanics - geomechanics modeling. The simulation approach is based on coupling of the MUFITS reservoir simulator and the FLAC3D mechanical…

One key factor that limits the predictive power of molecular dynamics simulations is the accuracy and transferability of the input force field. Force fields are challenged by heterogeneous environments, where electronic responses give rise…

Chemical Physics · Physics 2016-09-13 Flaviu S. Cipcigan , Vlad P. Sokhan , Jason Crain , Glenn J. Martyna

We propose a new reservoir computing method for forecasting high-resolution spatiotemporal datasets. By combining multi-resolution inputs from coarser to finer layers, our architecture better captures both local and global dynamics. Applied…

Machine Learning · Computer Science 2025-10-14 Nicola Alboré , Gabriele Di Antonio , Fabrizio Coccetti , Andrea Gabrielli

We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium statistical mechanics and thermodynamics, it is possible to…

Soft Condensed Matter · Physics 2009-11-06 Patrick Ilg , Vlasis Mavrantzas , Hans Christian Öttinger

Stochastic modelling of complex systems plays an essential, yet often computationally intensive role across the quantitative sciences. Recent advances in quantum information processing have elucidated the potential for quantum simulators to…

Quantum Physics · Physics 2021-06-22 Thomas J. Elliott

A key part of planning CO2 storage sites is to devise a monitoring strategy. The aim of this strategy is to fulfill the requirements of legislations and lower cost of the operation by avoiding operational problems. If CCS is going to be a…

Process-based hydrologic models are invaluable tools for understanding the terrestrial water cycle and addressing modern water resources problems. However, many hydrologic models are computationally expensive and, depending on the…

Geophysics · Physics 2025-02-11 Timothy Dai , Kate Maher , Zach Perzan

In this work, a coarse-graining method previously proposed by the authors in a companion paper based on solving diffusion equations is applied to CFD-DEM simulations, where coarse graining is used to obtain solid volume fraction, particle…

Computational Physics · Physics 2015-01-07 Rui Sun , Heng Xiao

In this paper, we investigate and design multiscale simulations for stochastic multiscale PDEs. As for the space, we consider a coarse grid and a known multiscale method, the Generalized Multiscale Finite Element Method (GMsFEM). In order…

Numerical Analysis · Mathematics 2020-04-10 Zecheng Zhang , Eric Chung , Yalchin Efendiev , Wing Tat Leung

Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…

Statistical Mechanics · Physics 2023-04-12 Shriram Chennakesavalu , David J. Toomer , Grant M. Rotskoff

The first paper of this series [J. Chem. Phys. 158, 034103 (2023)] demonstrated that excess entropy scaling holds for both fine-grained and corresponding coarse-grained (CG) systems. Despite its universality, a more exact determination of…

Chemical Physics · Physics 2023-01-18 Jaehyeok Jin , Kenneth S. Schweizer , Gregory A. Voth

Fast assimilation of monitoring data to update forecasts of pressure buildup and carbon dioxide (CO2) plume migration under geologic uncertainties is a challenging problem in geologic carbon storage. The high computational cost of data…

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