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The impact of chemical reactions on the robustness and accuracy of projection-based Reduced-Order Models (ROMs) of fluid flows is investigated. Both Galerkin and Least-Squares Petrov Galerkin ROMs are shown to be less robust in reacting…

Computational Physics · Physics 2019-07-19 Cheng Huang , Karthik Duraisamy , Charles L. Merkle

Metals can serve as carbon-free energy carriers, e. g. in innovative metal-metal oxide cycles as proposed by Bergthorson (Prog. Energy Combust. Sci., 2018). Iron powder is a suitable candidate since it can be oxidized with air.…

Fluid Dynamics · Physics 2023-06-14 Johannes Mich , Daniel Braig , Tobias Gustmann , Christian Hasse , Arne Scholtissek

Reduced order modeling methods are often used as a mean to reduce simulation costs in industrial applications. Despite their computational advantages, reduced order models (ROMs) often fail to accurately reproduce complex dynamics…

In-time and accurate assessments of on-road vehicle emissions play a central role in urban air quality and health policymaking. However, official insight is hampered by the Inspection/Maintenance (I/M) procedure conducted in the laboratory…

Air pollution remains a leading global health threat, with fine particulate matter (PM2.5) contributing to millions of premature deaths annually. Chemical transport models (CTMs) are essential tools for evaluating how emission controls…

Atmospheric and Oceanic Physics · Physics 2025-06-24 Shigan Liu , Guannan Geng , Yanfei Xiang , Hejun Hu , Xiaodong Liu , Xiaomeng Huang , Qiang Zhang

The objective of this study is to evaluate whether the number of requisite training samples can be reduced with the use of various transfer learning models for predicting, for example, the chemical source terms of the data-driven…

Chemical Physics · Physics 2024-12-18 Ki Sung Jung , Tarek Echekki , Jacqueline H. Chen , Mohammad Khalil

The flow behavior in the continuous casting tundish plays a critical role in steel quality and is typically characterized via residence time distribution (RTD) curves. This study investigates the fluid flow behaviour in a single-strand…

We propose a non-intrusive, Autoencoder-based framework for reduced-order modeling in continuum mechanics. Our method integrates three stages: (i) an unsupervised Autoencoder compresses high-dimensional finite element solutions into a…

Computational Engineering, Finance, and Science · Computer Science 2025-09-03 Jannick Kehls , Ellen Kuhl , Tim Brepols , Kevin Linka , Hagen Holthusen

Solvent can occupy up to ~70% of macromolecular crystals and hence having models that predict solvent distributions in periodic systems could improve in the interpretation of crystallographic data. Yet there are few implicit solvent models…

Chemical Physics · Physics 2022-01-26 Jonathon G. Gray , George M. Giambaşu , David A. Case , Tyler Luchko

Projection-based Reduced Order Models (ROMs) are often deployed as static surrogates, which limits their practical utility once a system leaves the training manifold. We formalize and study adaptive non-intrusive ROMs that update both the…

Machine Learning · Computer Science 2026-02-13 Amirpasha Hedayat , Alberto Padovan , Karthik Duraisamy

Model reduction methods are relevant when the computation time of a full convection-diffusion-reaction simulation based on detailed chemical reaction mechanisms is too large. In this article, we review a model reduction approach based on…

Computational Physics · Physics 2014-05-20 Dirk Lebiedz , Jochen Siehr

Recently developed reduced-order modeling techniques aim to approximate nonlinear dynamical systems on low-dimensional manifolds learned from data. This is an effective approach for modeling dynamics in a post-transient regime where the…

Dynamical Systems · Mathematics 2023-09-27 Samuel E. Otto , Gregory R. Macchio , Clarence W. Rowley

This paper proposes physical-based, reduced-order electrochemical models that are much faster than the electrochemical pseudo 2D (P2D) model, while providing high accuracy even under the challenging conditions of high C-rate and strong…

Chemical Physics · Physics 2023-05-30 Tianhan Gao , Wei Lu

We introduce a novel, computationally inexpensive approach for imaging with an active array of sensors, which probe an unknown medium with a pulse and measure the resulting waves. The imaging function uses a data driven estimate of the…

Numerical Analysis · Mathematics 2022-01-19 Liliana Borcea , Josselin Garnier , Alexander V. Mamonov , Jörn Zimmerling

Identification of worst-case gust loads is a critical step in the certification of very flexible aircraft, yet the computational cost of nonlinear full-order simulations renders exhaustive parametric searches impractical. This paper…

Computational Engineering, Finance, and Science · Computer Science 2026-04-16 Nikolaos D. Tantaroudas , Ilias Karachalios

Advection-Diffusion-Reaction (ADR) Partial Differential Equations (PDEs) appear in a wide spectrum of applications such as chemical reactors, concentration flows, and biological systems. A large number of these applications require the…

Systems and Control · Electrical Eng. & Systems 2022-03-29 Ahmed Elkhashap , Dirk Abel

Three-dimensional (3D) finite-element simulations of cardiovascular flows provide high-fidelity predictions to support cardiovascular medicine, but their high computational cost limits clinical practicality. Reduced-order models (ROMs)…

Computational Engineering, Finance, and Science · Computer Science 2025-09-01 Natalia L. Rubio , Eric F. Darve , Alison L. Marsden

We perform a theoretical and numerical investigation of the time-average of energy exchange among modes of Reduced Order Models (ROMs) of fluid flows. We are interested in the statistical equilibrium problem, and especially in the possible…

Analysis of PDEs · Mathematics 2019-01-16 Luigi C. Berselli , Traian Iliescu , Birgul Koc , Roger Lewandowski

Reduced order modeling has gained considerable attention in recent decades owing to the advantages offered in reduced computational times and multiple solutions for parametric problems. The focus of this manuscript is the application of…

Numerical Analysis · Mathematics 2018-11-21 Gianluigi Rozza , Haris Malik , Nicola Demo , Marco Tezzele , Michele Girfoglio , Giovanni Stabile , Andrea Mola

We develop a 3D aerothermodynamic simulator for the Orion reentry capsule at hypersonic speeds, a timely case study given its role in upcoming lunar missions. The large computational meshes required for these scenarios make traditional…

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