@Comment { \documentclass{article} \usepackage{url} \begin{document} This Simulator Model originally published in \cite{OpenKIM-SM:259779394709:000a} is archived in \cite{OpenKIM-SM:259779394709:000, tadmor:elliott:2011, elliott:tadmor:2011}. \bibliographystyle{vancouver} \bibliography{kimcite-SM_259779394709_000.bib} \end{document} } @Misc{OpenKIM-SM:259779394709:000, author = {Xiaowang Zhou}, title = {{LAMMPS} {EIM} potential for the {B}r-{C}l-{C}s-{F}-{I}-{K}-{L}i-{N}a-{R}b system developed by {Z}hou (2010) v000}, doi = {10.25950/b2223d98}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/b2223d98}}, keywords = {OpenKIM, Simulator Model, SM_259779394709_000}, publisher = {OpenKIM}, year = 2019, } @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{OpenKIM-SM:259779394709:000a, abstract = {Ionic compounds exhibit a variety of crystal structures that can critically affect their applications. Traditionally, relative sizes of cations and anions have been used to explain coordination of ions within the crystals. Such approaches assume atoms to be hard spheres and they cannot explain the observed structures of some crystals. Here we develop an atomistic method and use it to explore the structure-determining factors beyond the limitations of the hard sphere approach. Our approach is based upon a calibrated interatomic potential database that uses independent intrinsic bond lengths to measure atomic sizes. By carrying out extensive atomistic simulations, striking relationships among intrinsic bond lengths are discovered to determine the B1 (NaCl), B2 (CsCl), and B3 (zinc-blende) structure of binary ionic compounds.}, author = {Zhou, X.W. and Doty, F.P. and Yang, P.}, doi = {https://doi.org/10.1016/j.commatsci.2011.03.028}, issn = {0927-0256}, journal = {Computational Materials Science}, number = {8}, pages = {2470-2481}, title = {Atomistic simulation study of atomic size effects on {B1 (NaCl), B2 (CsCl), and B3} (zinc-blende) crystal stability of binary ionic compounds}, volume = {50}, year = {2011}, }