@Comment
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This Model originally published in \cite{MO_453094726678_000a} is archived in OpenKIM~\cite{MO_453094726678_000, MD_249792265679_001, tadmor:elliott:2011, elliott:tadmor:2011}.
\bibliographystyle{vancouver}
\bibliography{kimcite-MO_453094726678_000.bib}
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}

@Misc{MO_453094726678_000,
  author       = {A.P. Moore and Benjamin W. Beeler and C. Deo and Michael I. Baskes and M.A. Okuniewski},
  title        = {{MEAM} potential for {U}-{Z}r alloy developed by {M}oore et al. (2015) v000},
  doi          = {10.25950/ef8339f5},
  howpublished = {OpenKIM, \url{https://doi.org/10.25950/ef8339f5}},
  keywords     = {OpenKIM, Model, MO_453094726678_000},
  publisher    = {OpenKIM},
  year         = 2021,
}

@Misc{MD_249792265679_001,
  author       = {Yaser Afshar and Sebastian Hütter  and Robert E. Rudd and Alexander Stukowski and William W. Tipton and Dallas R. Trinkle and Gregory J. Wagner and Pinchao Zhang and Eduardo Alonso and Michael I. Baskes and Vasily V Bulatov and Tomas Diaz de la Rubia and Jeongnim Kim and Joel D. Kress and Byeong-Joo Lee and Thomas Lenosky and J. S. Nelson and B. Sadigh and Arthur F. Voter and A. F. Wright},
  title        = {{T}he modified embedded atom method ({MEAM}) potential v001},
  doi          = {10.25950/773efb8e},
  howpublished = {OpenKIM, \url{https://doi.org/10.25950/ef8339f5}},
  keywords     = {OpenKIM, Model Driver, MD_249792265679_001},
  publisher    = {OpenKIM},
  year         = 2021,
}

@Article{tadmor:elliott:2011,
  author    = {E. B. Tadmor and R. S. Elliott and J. P. Sethna and R. E. Miller and C. A. Becker},
  title     = {The potential of atomistic simulations and the {K}nowledgebase of {I}nteratomic {M}odels},
  journal   = {{JOM}},
  year      = {2011},
  volume    = {63},
  number    = {7},
  pages     = {17},
  doi       = {10.1007/s11837-011-0102-6},
}

@Misc{elliott:tadmor:2011,
  author       = {Ryan S. Elliott and Ellad B. Tadmor},
  title        = {{K}nowledgebase of {I}nteratomic {M}odels ({KIM}) Application Programming Interface ({API})},
  howpublished = {\url{https://openkim.org/kim-api}},
  publisher    = {OpenKIM},
  year         = 2011,
  doi          = {10.25950/ff8f563a},
}

@Article{MO_453094726678_000a,
  abstract = {A semi-empirical Modified Embedded Atom Method (MEAM) potential is developed for application to the high temperature body-centered-cubic uranium–zirconium alloy (γ-U–Zr) phase and employed with molecular dynamics (MD) simulations to investigate the high temperature thermo-physical properties of U–Zr alloys. Uranium-rich U–Zr alloys (e.g. U–10Zr) have been tested and qualified for use as metallic nuclear fuel in U.S. fast reactors such as the Integral Fast Reactor and the Experimental Breeder Reactors, and are a common sub-system of ternary metallic alloys like U–Pu–Zr and U–Zr–Nb. The potential was constructed to ensure that basic properties (e.g., elastic constants, bulk modulus, and formation energies) were in agreement with first principles calculations and experimental results. After which, slight adjustments were made to the potential to fit the known thermal properties and thermodynamics of the system. The potentials successfully reproduce the experimental melting point, enthalpy of fusion, volume change upon melting, thermal expansion, and the heat capacity of pure U and Zr. Simulations of the U–Zr system are found to be in good agreement with experimental thermal expansion values, Vegard's law for the lattice constants, and the experimental enthalpy of mixing. This is the first simulation to reproduce the experimental thermodynamics of the high temperature γ-U–Zr metallic alloy system. The MEAM potential is then used to explore thermodynamics properties of the high temperature U–Zr system including the constant volume heat capacity, isothermal compressibility, adiabatic index, and the Grüneisen parameters.},
  author = {Moore, A.P. and Beeler, B. and Deo, C. and Baskes, M.I. and Okuniewski, M.A.},
  doi = {10.1016/j.jnucmat.2015.10.016},
  issn = {0022-3115},
  journal = {Journal of Nuclear Materials},
  pages = {802--819},
  title = {Atomistic modeling of high temperature uranium–zirconium alloy structure and thermodynamics},
  url = {https://www.sciencedirect.com/science/article/pii/S0022311515302683},
  volume = {467},
  year = {2015},
}
