| Mechanochemistry at solid surfaces: polymerization of adsorbed molecules by mechanical shear at tribological interfaces J Yeon, X He, A Martini, SH Kim ACS applied materials & interfaces 9 (3), 3142-3148, 2017 | 87 | 2017 |
| ReaxFF molecular dynamics simulations of hydroxylation kinetics for amorphous and nano-silica structure, and its relations with atomic strain energy J Yeon, ACT Van Duin The Journal of Physical Chemistry C 120 (1), 305-317, 2016 | 82 | 2016 |
| Water Interactions with Nanoporous Silica: Comparison of ReaxFF and ab Initio based Molecular Dynamics Simulations JM Rimsza, J Yeon, ACT Van Duin, J Du The Journal of Physical Chemistry C 120 (43), 24803-24816, 2016 | 79 | 2016 |
| Effects of water on tribochemical wear of silicon oxide interface: molecular dynamics (MD) study with reactive force field (ReaxFF) J Yeon, ACT Van Duin, SH Kim Langmuir 32 (4), 1018-1026, 2016 | 61 | 2016 |
| Tribochemistry of phosphoric acid sheared between quartz surfaces: A reactive molecular dynamics study DC Yue, TB Ma, YZ Hu, J Yeon, ACT van Duin, H Wang, J Luo The Journal of Physical Chemistry C 117 (48), 25604-25614, 2013 | 55 | 2013 |
| Tribochemical mechanism of amorphous silica asperities in aqueous environment: a reactive molecular dynamics study DC Yue, TB Ma, YZ Hu, J Yeon, ACT van Duin, H Wang, J Luo Langmuir 31 (4), 1429-1436, 2015 | 49 | 2015 |
| Mechanochemical association reaction of interfacial molecules driven by shear A Khajeh, X He, J Yeon, SH Kim, A Martini Langmuir 34 (21), 5971-5977, 2018 | 38 | 2018 |
| Development of the ReaxFF methodology for electrolyte–water systems MV Fedkin, YK Shin, N Dasgupta, J Yeon, W Zhang, D Van Duin, ... The Journal of Physical Chemistry A 123 (10), 2125-2141, 2019 | 30 | 2019 |
| Development of a ReaxFF force field for Cu/S/C/H and reactive MD simulations of methyl thiolate decomposition on Cu (100) J Yeon, HL Adams, CE Junkermeier, ACT Van Duin, WT Tysoe, A Martini The Journal of Physical Chemistry B 122 (2), 888-896, 2018 | 25 | 2018 |
| Underwater adhesive using solid–liquid polymer mixes AC Chipara, T Tsafack, PS Owuor, J Yeon, CE Junkermeier, ... Materials today chemistry 9, 149-157, 2018 | 22 | 2018 |
| Automated ReaxFF parametrization using machine learning CM Daksha, J Yeon, SC Chowdhury, JW Gillespie Jr. Computational Materials Science 187 (1), 110107, 2021 | 14 | 2021 |
| Development of Mg/Al/Si/O ReaxFF parameters for magnesium aluminosilicate glass using an artificial neural network-assisted genetic algorithm J Yeon, SC Chowdhury, CM Daksha, JW Gillespie Jr The Journal of Physical Chemistry C 125 (33), 18380-18394, 2021 | 6 | 2021 |
| Mechanical properties and damage analysis of S-glass: A reactive molecular dynamics study J Yeon, SC Chowdhury, JW Gillespie Jr Composites Part B: Engineering 234, 109706, 2022 | 4 | 2022 |
| Development of a reaxff reactive force field for silicon/oxygen/hydrogen/fluoride interactions and applications to hydroxylation and friction J Yeon The Pennsylvania State University, 2016 | 2 | 2016 |
| Parameterization of ReaxFF potential of Mg/Al/Si/O interaction and investigation of mechanical properties for S-glass J Yeon, SC Chowdhury, CM Daksha, D Belmonte, A van Duin, ... 36th Technical Conference of the American Society for Composites 2021 …, 2021 | | 2021 |
| Parametrization of Reactive Potential using Genetic Algorithm and Machine Learning Techniques CM Daksha, J YEON, SC CHOWDHURY, JW GILLESPIE JR Proceedings of the American Society for Composites—Thirty-fifth Technical …, 2020 | | 2020 |
| Shear-driven polymerization: critical roles of chemisorption and molecular deformation A Martini, A Khajeh, J Yeon, X He, S Kim APS March Meeting Abstracts 2019, P49. 001, 2019 | | 2019 |
| Atomistic scale simulation for the inter-diffusion of Epon 828 and Jeffamine J YEON, S CHOWDHURY, C DAKSHA, J GILLESPIE JR Proceedings of the American Society for Composites—Thirty-third Technical …, 2018 | | 2018 |
| Development of a ReaxFF Force Field for Cu/S/C/H and Reactive MD Simulations of Methyl Thiolate Decomposition on Cu (100) B J Yeon, HL Adams, CE Junkermeier, ACT van Duin, WT Tysoe, A Martini | | 2018 |
| Optimization of a ReaxFF reactive force field for modeling tribochemical reactions of Cu-S and Cu-thiol/alkoxy systems J Yeon, W Tysoe, A Martini ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
Adri van DuinDistinguished Professor of Mechanical Engineering, Penn State UniversityVerified email at psu.edu
