Ke Yuan

Ke Yuan

R&D Research Associate

Ke Yuan is an R&D Research Associate in the Geochemistry and Interfacial Sciences Group at Oak Ridge National Laboratory. Since completing his Ph.D. in earth and environmental sciences at the University of Michigan in 2015, he was a postdoctoral researcher in the Interfacial Processes Group at Argonne National Laboratory before joining ORNL. His research focuses on revealing the molecular scale mechanisms of geochemical reactions occurring at mineral-water interfaces by using both experimental and computational methods. His current research interests include heterogeneous nucleation, proton transfer reaction, ion adsorption, and ion pairing by using synchrotron-based X-ray nanotomography, coherent X-ray scattering, and rare-event molecular dynamics simulations.

2020-present, R&D Research Associate, Geochemistry and Interfacial Science Group, ORNL

2019-2020   Postdoc, Geochemistry & Interfacial Sciences Group, ORNL

2015-2019   Postdoc, Interfacial Processes Group, ANL

Ph.D.  2011-2015   Earth and Environmental Sciences, University of Michigan, Ann Arbor 

BS/MS  2005-2011   Materials Science and Engineering, China University of Geosciences, Beijing

Membership Assistant, Geochemistry Division, American Chemical Society (2024)

Synchrotron X-ray nanotomography 

Coherent X-ray scattering

Surface probe microscopy

Molecular dynamics and metadynamics simulations

Y.J. Kim, B. Abdilla, K. Yuan, V. De Andrade, N.C. Sturchio, S.S. Lee, P. Fenter (2021) Replacement of Calcium Carbonate Polymorphs by Cerussite. ACS Earth and Space Chemistry 5 (9), 2433–2441

K. Yuan, V. Starchenko. S. S. Lee, V. D. Andrade, D. Gursoy, N. C. Sturchio, P. Fenter (2019) Mapping three-dimensional dissolution rates of calcite microcrystals: Effects of surface curvature and dissolved metal ions. ACS Earth and Space Chemistry 3,5 883-843

K. Yuan, S.S. Lee, W. Cha, A. Ulvestad, H. Kim, B. Abdilla, N.C. Sturchio, P. Fenter (2019) Oxidation induced strain and defects in magnetite crystals. Nature Communications 10, 703

K. Yuan, J. N. Bracco, M. Schmidt, L. Soderholm,  P. Fenter, S.S. Lee (2019) Effect of anions on the changes in the structure and adsorption mechanism of zirconium species at the muscovite (001)–water interface. Journal of Physical Chemistry C 123,27, 16699-16710

P. Cook, Y.J. Kim, K. Yuan, M.C. Marcano, U. Becker (2019) Electrochemical, spectroscopic, and computational investigations on redox reactions of selenium species on galena surfaces. Minerals 9(7), 437

K. Yuan, S.S. Lee, J. Wang, N.C. Sturchio, P. Fenter (2018) Templating growth of a pseudomorphic lepidocrocite micro-shell at the calcite-water interface. Chemistry of Materials 30(3), 700-707

K. Yuan, V.D. Andrade, Z. Feng, N.C. Sturchio, S.S. Lee, P. Fenter (2018) Pb2+-calcite interactions under far-from-equilibrium conditions: Formation of micro pyramids and pseudomorphic growth of cerussite. Journal of Physical Chemistry C 122, 2238-2247

Y.J. Kim, K. Yuan, B.R. Ellis, U. Becker (2017) Redox reactions of selenium as catalyzed by magnetite: Lessons learnt from using electrochemistry and spectroscopic methods. Geochimica et Cosmochimica Acta 199, 304-323

K. Yuan, S.D. Taylor, B.A. Powell, U. Becker (2017) An ab initio study of the adsorption of Eu3+, Pu3+, Am3+, and Cm3+ hydroxide complexes on hematite (001) surface: Role of magnetism on adsorption. Surface Science 664, 120-128

K. Yuan, S.S. Lee, V.D. Andrade, N.C. Sturchio, P. Fenter (2016) Replacement of calcite (CaCO3) by cerussite (PbCO3). Environmental Science & Technology 50(23): 12984-12991

K. Yuan, E.S. Ilton, M.R. Antonio, Z. Li, P.J. Cook, U. Becker (2015) Electrochemical and spectroscopic evidence on the one‑electron reduction of U(VI) to U(V) on magnetite. Environmental Science & Technology 49, 6206-6213

K. Yuan, D. Renock, R.C. Ewing, U. Becker (2015) Uranium reduction on magnetite: Probing for pentavalent uranium using electrochemical methods. Geochimica et Cosmochimica Acta 156, 194-206.

K. Yuan, R.C. Ewing, U. Becker (2015) Thermodynamic mixing properties of the UO2-HfO2 solid solution: Density functional theory and Monte Carlo simulations. Journal of Nuclear Materials 458, 296-303.

D. Renock, M. Mueller, K. Yuan, R.C. Ewing, U. Becker (2013) The energetics and kinetics of uranyl reduction on pyrite, hematite, and magnetite surfaces: A powder microelectrode study. Geochimica et Cosmochimica Acta 118, 56-71.

S.L. Estes, Y. Arai, U. Becker, S. Fernando, K. Yuan, R.C. Ewing, J.M. Zhang, T. Shibata, B.A. Powell (2013) A self-consistent model describing the thermodynamics of Eu(III) adsorption onto hematite. Geochimica et Cosmochimica Acta122, 430-447.