Workshop report on basic research needs for scientific machine learning: Core technologies for artificial intelligence

N Baker, F Alexander, T Bremer, A Hagberg… - 2019 - osti.gov
Scientific Machine Learning (SciML) and Artificial Intelligence (AI) will have broad use and
transformative effects across the Department of Energy. Accordingly, the January 2018 Basic …

Benchmarking chemical neural ordinary differential equations to obtain reaction network-constrained kinetic models from spectroscopic data

A Puliyanda, K Srinivasan, Z Li, V Prasad - Engineering Applications of …, 2023 - Elsevier
Kinetic model identification relies on accurate concentration measurements and physical
constraints to limit solution multiplicity. Not having these measurements and prior knowledge …

Development and application of ANN model for property prediction of supercritical kerosene

B Li, Y Lee, W Yao, Y Lu, X Fan - Computers & Fluids, 2020 - Elsevier
Three artificial neural network (ANN) models were developed to predict the fluid properties
of China RP-3 kerosene under supercritical pressure in replacement of the time-consuming …

Reconstruction model for heat release rate based on artificial neural network

B Li, W Yao, Y Lee, XJ Fan - International Journal of Hydrogen Energy, 2021 - Elsevier
Optimizing the distribution of heat release rate (HRR) is the key to improve the performance
of various combustors. However, limited by current diagnostic techniques, the spatial …

Application of dynamic zone flamelet model to a gh2/go2 rocket combustor

W Yao, X Fan - AIAA Propulsion and Energy 2019 Forum, 2019 - arc.aiaa.org
A dynamic zone flamelet model is proposed and validated in this study. The model divides
the whole computational domain into different zones and uses a local flamelet to describe …

Auto-HPCnet: An Automatic Framework to Build Neural Network-based Surrogate for High-Performance Computing Applications

W Dong, G Kestor, D Li - … of the 32nd International Symposium on High …, 2023 - dl.acm.org
High-performance computing communities are increasingly adopting Neural Networks (NN)
as surrogate models in their applications to generate scientific insights. Replacing an …

Modeling and simulation of a turbulent jet diffusion flame of a biodiesel surrogate composed of MD, n-Hept, MC and EtOH

AL De Bortoli, FN Pereira - Fuel, 2022 - Elsevier
The more properties of biodiesel one wishes to represent, the more complex the surrogate
mixture becomes. Often the aim is to represent the H/C and O/C ratios and molecular weight …

Solutions for a laminar jet diffusion flame of methyl formate using a skeletal mechanism obtained by applying ANNs

FRR Padilha, AL De Bortoli - Journal of Mathematical Chemistry, 2019 - Springer
Numerical simulations involving detailed kinetic combustion reaction mechanisms for long
chain fuels are associated with prohibitive computational costs. Thus, there is the need for …

Development of zone flamelet model for scramjet combustor modeling

W Yao, X Fan - 21st AIAA International Space Planes and Hypersonics …, 2017 - arc.aiaa.org
To alleviate the huge computational cost in supersonic combustor modeling and to improve
the accuracy of traditional unsteady flamelet model, a zone flamelet is proposed. The main …

Obtaining a reduced kinetic mechanism for Methyl Butanoate

AL De Bortoli, FN Pereira - Journal of Mathematical Chemistry, 2019 - Springer
The computational treatment of detailed kinetic reaction mechanisms for combustion is
expensive, especially in the case of biodiesel fuels. In this way, great efforts in the search of …