arXiv:2607. 09582v1 Announce Type: cross Abstract: We present a physics-constrained machine learning framework for accelerating the direct numerical simulation (DNS) of turbulent reacting flows.
By Okezzi Ukorigho, Opeoluwa Owoyele
arXiv:2607. 19281v1 Announce Type: new Abstract: This study introduces a reinforcement learning (RL) framework for generating optimal liquid-fueled reactors to improve lean blowout (LBO) predictions in gas turbine combustors.
By Philip John, Eloghosa Ikponmwoba, Pinaki Pal, Opeoluwa Owoyele
The paper introduces a neural‑network based local‑box chemical kinetics solver for exoplanet atmospheres, employing a residual flow‑map architecture. It achieves microsecond‑scale inference with percent‑level accuracy across a wide range of temperatures, pressures, time steps, and compositional variations, outperforming other machine‑learning models and handling the extreme stiffness of atmospheric chemistry. The surrogate model offers a flexible, efficient alternative to classical solvers for state‑to‑state flow‑map problems in numerical simulations.
By Isaac Malsky, Xi Zhang, Tiffany Kataria, Matthew Graham, Ziyu Huang, Boris Bonev, Shang-Min Tsai, Elspeth K. H. Lee
arXiv:2606. 19562v1 Announce Type: new Abstract: This chapter reviews recent advances in Scientific Machine Learning (SciML) for modeling coupled fluid flow and transport phenomena governed by the incompressible Navier-Stokes and scalar transport equations.
By Gabriel F. Barros, R\^omulo M. Silva, Alvaro L. G. A. Coutinho
arXiv:2606. 28519v1 Announce Type: new Abstract: Training operator-learning models for large-scale problems governed by partial differential equations (PDEs) is challenging due to the curse of dimensionality, memory constraints, and limited training data.
By Christian Munoz, Alexandre Tartakovsky
This chapter reviews recent advances in Scientific Machine Learning (SciML) for modeling coupled fluid flow and transport phenomena governed by the incompressible Navier-Stokes and scalar transport equations. Such systems, found in applications like turbidity currents and thermal convection, feature strong nonlinear coupling and multiscale behavior that make high-fidelity simulations computationally expensive.
arXiv:2604. 23874v3 Announce Type: replace-cross Abstract: The differentiable physics paradigm may be leveraged as an a-posteriori approach for discovering turbulence closure models by embedding a neural network parameterization directly inside the solver and optimizing it given potentially sparse target data.
By Ashwin Suriyanarayanan, Dibyajyoti Chakraborty, Romit Maulik
arXiv:2608. 00212v1 Announce Type: new Abstract: Spatial atomic layer deposition (SALD) is a leading atmospheric-pressure, high-throughput route to industrial ALD, but design and control are limited by the cost of predicting surface coverage: high-fidelity CFD is far too slow for operating-window scans, while analytic models miss transport modulation such as the gas curtain.
By Ning Hu, Chang Liu, Yunlei Jiang, Yuan Dong
arXiv:2511. 04567v2 Announce Type: replace-cross Abstract: Constructing reduced models for turbulent transport is essential for accelerating profile predictions and enabling many-query tasks such as parameter exploration and design optimization.
By Ionut-Gabriel Farcas, Don Lawrence Carl Agapito Fernando, Alejandro Banon Navarro, Gabriele Merlo, Frank Jenko
arXiv:2607. 19241v1 Announce Type: new Abstract: Real-fluid thermodynamic property evaluation is a major computational cost in supercritical combustion simulations.
By Haoze Zhang, Han Li, Ke Xiao, Yangchen Xu, Runze Mao, Zhi X. Chen
The article discusses how the rapid development of artificial intelligence (AI) and machine learning (ML) is transforming chemical engineering by influencing problem formulation, analysis, and solution across a wide range of applications, from atomic-scale simulations to industrial operations. It highlights recent methodological advances and representative uses, noting a shift from purely black-box models to hybrid and physics-informed frameworks that incorporate conservation laws, thermodynamic consistency, and structural constraints. These integrated approaches enhance robustness, reliability, and human-AI collaboration, ultimately amplifying rather than replacing core chemical engineering principles.
By Michael Baldea, Linda J. Broadbelt, Marianthi G. Ierapetritou, Akhilesh Jain, Ankur Kumar, Thomas A. Kwan, F\`elix Llovell, Andrew J. Medford, Ilias Mitrai, Joel Paulson, Junyi Qiao, Matthew P. Rivera, Kirti C. Sahu, Lev Sarkisov, Zachary P. Smith, Calvin Tsay, Ching-Mei Wen, Victor M. Zavala, Huacheng Zhang, Dan Zhao
arXiv:2607. 23880v1 Announce Type: cross Abstract: Nitrous oxide (N$_2$O) is the dominant ozone-depleting substance emitted in the 21st century, and the third largest contributor to anthropogenic greenhouse gases due to its high potency and long atmospheric lifetime, with more than 70% of N$_2$O emissions occurring as a result of agricultural processes.
By Freddy Yu, Jashanjeet Kaur Dhaliwal, Subhadeep Chakraborty