Yuan Xuan

Affiliate Researcher
Titles and Affiliations
Associate Professor, Mechanical Engineering

In the News

Research Keywords

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Projects

Recent Publications

Exploring Gas-Phase Chemical Reactions in NH3/B2H6 Systems for Chemical Vapor Deposition Using Reactive Molecular Dynamics

Jeong, G. U., van Duin, A. C. T. & Xuan, Y., Apr 4 2024, In: Journal of Physical Chemistry A. 128, 13, p. 2584-2593 10 p.

Research output: Contribution to journalArticlepeer-review

Temperature measurements in heavily-sooting ethylene/air flames using synchrotron x-ray fluorescence of krypton

Banyon, C., Montgomery, M. J., Kwon, H., Kastengren, A. L., Pfefferle, L. D., Sikes, T., Xuan, Y., McEnally, C. S. & Tranter, R. S., Nov 2023, In: Combustion and Flame. 257, 112494.

Research output: Contribution to journalArticlepeer-review

Corrigendum to “Pyrolysis of bio-derived dioxolane fuels: A ReaxFF molecular dynamics study” [Fuel 306 (2021) 121616] (Fuel (2021) 306, (S0016236121014976), (10.1016/j.fuel.2021.121616))

Kwon, H. & Xuan, Y., Feb 1 2023, In: Fuel. 333, 126463.

Research output: Contribution to journalComment/debatepeer-review

Describing the Mechanism of Instability Suppression Using a Central Pilot Flame With Coupled Experiments and Simulations

Li, J., Kwon, H., Seksinsky, D., Doleiden, D., O’Connor, J., Xuan, Y., Akiki, M. & Blust, J., Jul 2022, In: Journal of Engineering for Gas Turbines and Power. 144, 1, 011015.

Research output: Contribution to journalArticlepeer-review

In situ temperature measurements in sooting methane/air flames using synchrotron x-ray fluorescence of seeded krypton atoms

Montgomery, M. J., Kwon, H., Kastengren, A. L., Pfefferle, L. D., Sikes, T., Tranter, R. S., Xuan, Y. & McEnally, C. S., Apr 2022, In: Science Advances. 8, 17, eabm7947.

Research output: Contribution to journalArticlepeer-review

Understanding Ozone Transport and Deposition within Indoor Surface Boundary Layers

Pei, G., Xuan, Y., Morrison, G. & Rim, D., Jun 21 2022, In: Environmental Science and Technology. 56, 12, p. 7820-7829 10 p.

Research output: Contribution to journalArticlepeer-review

Elucidating the chemical pathways responsible for the sooting tendency of 1 and 2-phenylethanol

Etz, B. D., Fioroni, G. M., Messerly, R. A., Rahimi, M. J., St. John, P. C., Robichaud, D. J., Christensen, E. D., Beekley, B. P., McEnally, C. S., Pfefferle, L. D., Xuan, Y., Vyas, S., Paton, R. S., McCormick, R. L. & Kim, S., 2021, In: Proceedings of the Combustion Institute. 38, 1, p. 1327-1334 8 p.

Research output: Contribution to journalConference articlepeer-review

Pyrolysis of bio-derived dioxolane fuels: A ReaxFF molecular dynamics study

Kwon, H. & Xuan, Y., Dec 15 2021, In: Fuel. 306, 121616.

Research output: Contribution to journalArticlepeer-review

ReaxFF molecular dynamics study on pyrolysis of bicyclic compounds for aviation fuel

Lele, A., Kwon, H., Ganeshan, K., Xuan, Y. & van Duin, A. C. T., Aug 1 2021, In: Fuel. 297, 120724.

Research output: Contribution to journalArticlepeer-review

Effect of ammonia addition on suppressing soot formation in methane co-flow diffusion flames

Montgomery, M. J., Kwon, H., Dreyer, J. A. H., Xuan, Y., McEnally, C. S. & Pfefferle, L. D., Jan 2021, In: Proceedings of the Combustion Institute. 38, 2, p. 2497-2505 9 p.

Research output: Contribution to journalArticlepeer-review

Fourier-physical space coherent structure in flame-vortex interactions relevant to flame-turbulence interactions using a new signal periodization procedure

Paes, P. L. K., Brasseur, J. G., Xuan, Y. & Shah, Y. G., Apr 1 2021, In: AIP Advances. 11, 4, 045006.

Research output: Contribution to journalArticlepeer-review

An a priori analysis of the structure of local subfilter-scale species surrounding flame fronts using direct numerical simulation of turbulent premixed flames

Shah, Y. G., Brasseur, J. G. & Xuan, Y., Apr 1 2021, In: Physics of Fluids. 33, 4, 045122.

Research output: Contribution to journalArticlepeer-review

Numerical simulations of yield-based sooting tendencies of aromatic fuels using ReaxFF molecular dynamics

Kwon, H., Shabnam, S., van Duin, A. C. T. & Xuan, Y., Feb 15 2020, In: Fuel. 262, 116545.

Research output: Contribution to journalArticlepeer-review

Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations to Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers

Kwon, H., Etz, B. D., Etz, B. D., Montgomery, M. J., Messerly, R., Shabnam, S., Vyas, S., Van Duin, A. C. T., McEnally, C. S., Pfefferle, L. D., Kim, S. & Xuan, Y., May 28 2020, In: Journal of Physical Chemistry A. 124, 21, p. 4290-4304 15 p.

Research output: Contribution to journalArticlepeer-review

ReaxFF-based molecular dynamics study of bio-derived polycyclic alkanes as potential alternative jet fuels

Kwon, H., Lele, A., Zhu, J., McEnally, C. S., Pfefferle, L. D., Xuan, Y. & van Duin, A. C. T., Nov 1 2020, In: Fuel. 279, 118548.

Research output: Contribution to journalArticlepeer-review