OpenKIM Username: xzhou
OpenKIM User ID: 4f4b2891-b27a-4e6d-aa56-6ffcb0e52407
Description of Work —
I develop EAM, bond-order and multibody potentials (such as Stillinger-Weber) for a variety of systems. Examples include:
- EAM potential for studying the atomic scale structure of sputtered multilayers and misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers.
-Stillinger-Weber potential for the II-VI elements Zn-Cd-Hg-S-Se-Te.
- - A modified Stillinger-Weber potential for TlBr, and its polymorphic extension.
- Analytical bond order potentials for various materials.
Materials
Metals, metal/metal oxide systems, CoFe/NiFe multilayersm, Cd-Te binary systems, Cd-Zn-Te ternary system, II-VI elements (Zn-Cd-Hg-S-Se-Te), Cd-Te-Se ternary system, TlBr and polymorphs
Bibliography
- X. W. Zhou, H. N. G. Wadley, R. A. Johnson, D. J. Larson, N. Tabat, A. Cerezo, A. K. Petford-Long, G. D. W. Smith, P. H. Clifton, R. L. Martens, and T. F. Kelly, "Atomic scale structure of sputtered metal multilayers", Acta Mater., Vol 49, 4005-4015, 2001.
- X. W. Zhou, H. N. G. Wadley, J.-S. Filhol, and M. N. Neurock, "Modified charge transfer–embedded atom method potential for metal/metal oxide systems", Phys. Rev. B, Vol. 69, 035402, 2004.
- X. W. Zhou, R. A. Johnson, and H. N. G. Wadley, "Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers", Phys. Rev. B, Vol. 69, 144113, 2004.
- D. K. Ward, X. W. Zhou, B. M. Wong, F. P. Doty, and J. A. Zimmerman, "Analytical bond-order potential for the cadmium telluride binary system", Phys. Rev. B., Vol. 85, 115206, 2012.
- D. K. Ward, X. W. Zhou, B. M. Wong, F. P. Doty, and J. A. Zimmerman, "Analytical bond-order potential for the Cd-Zn-Te ternary system", Phys. Rev. B, Vol. 86, 245203, 2012.
- Donald K. Ward, Xiaowang Zhou, Bryan M. Wong, and F. Patrick Doty, "A refined parameterization of the analytical Cd–Zn–Te bond-order potential", J. Mol. Model., Vol. 19, 5469-5477, 2013.
- X. W. Zhou, D. K. Ward, J. E. Martin, F. B. van Swol, J. L. Cruz-Campa, and D. Zubia, "Stillinger-Weber potential for the II-VI elements Zn-Cd-Hg-S-Se-Te", Phys. Rev. B, Vol. 88, 085309, 2013.
- X. W. Zhou, M. E. Foster, F. B. van Swol, J. E. Martin, and Bryan M. Wong, "Analytical Bond-Order Potential for the Cd−Te−Se Ternary System", J. Phys. Chem., Vol. 118, 20661−20679, 2014.
- X. W. Zhou, M. E. Foster, Reese Jones, P. Yang, H. Fan, and F. P. Doty, "A Modified Stillinger-Weber Potential for TlBr, and Its Polymorphic Extension", J. Mater. Sci. Res., Vol. 4, 15-32, 2015.
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