English
Related papers

Related papers: Skeletal Reaction Models for Gasoline Surrogate Co…

200 papers

In this work, a terrain estimation framework is developed for autonomous vehicles operating on deformable terrains. Previous work in this area usually relies on steady state tire operation, linearized classical terramechanics models, or on…

Systems and Control · Electrical Eng. & Systems 2020-04-28 James Dallas , Kshitij Jain , Zheng Dong , Michael P. Cole , Paramsothy Jayakumar , Tulga Ersal

Prediction models of lattice thermal conductivity have wide applications in the discovery of thermoelectrics, thermal barrier coatings, and thermal management of semiconductors. kL is notoriously difficult to predict. While classic models…

Materials Science · Physics 2021-09-15 Christian Loftis , Kunpeng Yuan , Yong Zhao , Ming Hu , Jianjun Hu

Cardiovascular modeling has rapidly advanced over the past few decades due to the rising needs for health tracking and early detection of cardiovascular diseases. While 1-D arterial models offer an attractive compromise between…

In astrophysical simulations, nuclear reacting flows pose computational challenges due to the stiffness of reaction networks. We introduce neural network-based surrogate models using the DeePODE framework to enhance simulation efficiency…

Instrumentation and Methods for Astrophysics · Physics 2025-10-14 Xiaoyu Zhang , Yuxiao Yi , Lile Wang , Zhi-Qin John Xu , Tianhan Zhang , Yao Zhou

Simulations of optical quantum systems are essential for the development of quantum technologies. However, these simulations are often computationally intensive, especially when repeated evaluations are required for data fitting, parameter…

A chemical reaction mechanism (CRM) is a sequence of molecular-level events involving bond-breaking/forming processes, generating transient intermediates along the reaction pathway as reactants transform into products. Understanding such…

Chemical Physics · Physics 2024-07-16 Ajnabiul Hoque , Manajit Das , Mayank Baranwal , Raghavan B. Sunoj

In this paper, we present a surrogate-based multiscale approach to model constant strain-rate and creep experiments on unidirectional thermoplastic composites under off-axis loading. In previous contributions, these experiments were modeled…

Numerical Analysis · Mathematics 2025-01-20 M. A. Maia , I. B. C. M. Rocha , D. Kovačević , F. P. van der Meer

An approach to derive low-complexity models describing thermal radiation for the sake of simulating the behavior of electric arcs in switchgear systems is presented. The idea is to approximate the (high dimensional) full-order equations,…

Optimization and Control · Mathematics 2015-12-09 Lorenzo Fagiano , Rudolf Gati

This work investigates a two-stage method for constructing projection-based reduced-order models (ROMs) of parameterized partial differential equations (PDEs). Based on established tensorial ROM methodology, the proposed approach reduces…

Numerical Analysis · Mathematics 2026-04-30 Arjun Vijaywargia , Eric C. Cyr , Anthony Gruber

Background and Objective: Accurate surrogate modeling of knee joint contact mechanics is important for reconstructing stress distributions and identifying risk-relevant regions, yet the relative suitability of different modeling paradigms…

Quantitative Methods · Quantitative Biology 2026-04-03 Zhengye Pan , Jianwei Zuo , Jiajia Luo

In this paper, we present a generic approach of a dynamical data-driven model order reduction technique for three-dimensional fluid-structure interaction problems. A low-order continuous linear differential system is identified from…

Computational Engineering, Finance, and Science · Computer Science 2023-01-25 Claire Dupont , Florian De Vuyst , Anne-Virginie Salsac

Ammonia is a promising zero-carbon fuel for industrial and transport applications, but its combustion is hindered by flame instabilities, incomplete oxidation, and the formation of nitrogen oxides. Accurate and detailed kinetic models are…

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

In this study, we leverage the massive amount of multi-modal on-machine metrology data generated from Laser Powder Directed Energy Deposition (LP-DED) to construct a comprehensive surrogate model of the 3D printing process. By employing…

Systems and Control · Electrical Eng. & Systems 2025-04-04 Michael Juhasz , Eric Chin , Youngsoo Choi , Joseph T. McKeown , Saad Khairallah

This paper presents a new chemical kinetic model developed for the simulation of auto-ignition and combustion of engine surrogate fuel mixtures sensitized by the presence of NOx. The chemical mechanism is based on the PRF auto-ignition…

Chemical Physics · Physics 2009-03-26 Jörg Anderlohr , A. Pires Da Cruz , Roda Bounaceur , Frédérique Battin-Leclerc

Manufactured materials usually contain random imperfections due to the fabrication process, e.g., the 3D-printing, casting, etc. These imperfections affect significantly the effective material properties and result in uncertainties in the…

Materials Science · Physics 2022-12-07 Ustim Khristenko , Andrei Constantinescu , Patrick Le Tallec , Barbara Wohlmuth

Molecular design requires systematic and broadly applicable methods to extract structure-property relationships. The focus of this study is on learning thermodynamic properties from molecular-liquid simulations. The methodology relies on an…

Materials Science · Physics 2023-07-04 Bernadette Mohr , Diego van der Mast , Tristan Bereau

Crash simulations play an essential role in improving vehicle safety, design optimization, and injury risk estimation. Unfortunately, numerical solutions of such problems using state-of-the-art high-fidelity models require significant…

Machine Learning · Computer Science 2024-02-16 Jonas Kneifl , Jörg Fehr , Steven L. Brunton , J. Nathan Kutz

We present a novel reduced order model (ROM) approach for parameterized time-dependent PDEs based on modern learning. The ROM is suitable for multi-query problems and is nonintrusive. It is divided into two distinct stages: A nonlinear…

Numerical Analysis · Mathematics 2020-11-24 Nikolaj T. Mücke , Sander M. Bohté , Cornelis W. Oosterlee

Understanding the mechanisms of shock-induced pore collapse is of great interest in various disciplines in sciences and engineering, including materials science, biological sciences, and geophysics. However, numerical modeling of the…

Computational Physics · Physics 2023-06-05 Siu Wun Cheung , Youngsoo Choi , H. Keo Springer , Teeratorn Kadeethum