Note that elemental potentials taken from alloy descriptions may not work well for the pure species. This is particularly true if the elements were fit for compounds instead of being optimized separately. As with all interatomic potentials, please check to make sure that the performance is adequate for your problem.
Uranium-Molybdenum (U-Mo) SystemStarikov, S. V., Kolotova, L. N., Yu Kuksin, A., Smirnova, D. E., & Tseplyaev, V. I. (2017). Atomistic simulation of cubic and tetragonal phases of U-Mo alloy: Structure and thermodynamic properties. Journal of Nuclear Materials. DOI: 10.1016/j.jnucmat.2017.11.047
Notes: These files were sent by S.V. Starikov (Joint Institute for High Temperatures, Russian Academy of Sciences) on 3 Dec. 2017 and posted with his permission.
Format: ADP extended setfl
Uranium-Molybdenum-Xenon (U-Mo-Xe) SystemD.E. Smirnova, A.Yu. Kuksin, S.V. Starikov, V.V. Stegailov, Z. Insepov, J. Rest, and A.M. Yacout, "A ternary EAM interatomic potential for U-Mo alloys with xenon." Modelling Simul. Mater. Sci. Eng., 21,035011 (2013). DOI: 10.1088/0965-0393/21/3/035011
Notes: This file was sent by Daria Smirnova (Joint Institute for High Temperatures, Russian Academy of Sciences) and posted on 14 March 2013 with her permission.
Format: EAM/alloy (setfl)
New! Computed Properties: 2013--Smirnova-D-E--U-Mo-Xe
Date created: October 5, 2010 | Last updated: April 9, 2018