@Comment { \documentclass{article} \usepackage{url} \begin{document} This Model originally published in \cite{OpenKIM-MO:036303866285:000a} is archived in \cite{OpenKIM-MO:036303866285:000, OpenKIM-MD:120291908751:005, tadmor:elliott:2011, elliott:tadmor:2011}. \bibliographystyle{vancouver} \bibliography{kimcite-MO_036303866285_000.bib} \end{document} } @Misc{OpenKIM-MO:036303866285:000, author = {Xiaowang Zhou and Michael E. Foster and Ryan B Sills}, title = {{EAM} potential ({LAMMPS} cubic hermite tabulation) for {F}e-{N}i-{C}r developed by {Z}hou, {F}oster and {S}ills (2018) v000}, doi = {10.25950/e28aaa47}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/e28aaa47}}, keywords = {OpenKIM, Model, MO_036303866285_000}, publisher = {OpenKIM}, year = 2022, } @Misc{OpenKIM-MD:120291908751:005, author = {Stephen M. Foiles and Michael I. Baskes and Murray S. Daw and Steven J. Plimpton}, title = {{EAM} {M}odel {D}river for tabulated potentials with cubic {H}ermite spline interpolation as used in {LAMMPS} v005}, doi = {10.25950/68defa36}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/68defa36}}, keywords = {OpenKIM, Model Driver, MD_120291908751_005}, publisher = {OpenKIM}, year = 2018, } @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-MO:036303866285:000a, abstract = {Fe-Ni-Cr stainless-steels are important structural materials because of their superior strength and corrosion resistance. Atomistic studies of mechanical properties of stainless-steels, however, have been limited by the lack of high-fidelity interatomic potentials. Here using density functional theory as a guide, we have developed a new Fe-Ni-Cr embedded atom method potential. We demonstrate that our potential enables stable molecular dynamics simulations of stainless-steel alloys at high temperatures, accurately reproduces the stacking fault energy—known to strongly influence the mode of plastic deformation (e.g., twinning vs. dislocation glide vs. cross-slip)—of these alloys over a range of compositions, and gives reasonable elastic constants, energies, and volumes for various compositions. The latter are pertinent for determining short-range order and solute strengthening effects. Our results suggest that our potential is suitable for studying mechanical properties of austenitic and ferritic stainless-steels which have vast implementation in the scientific and industrial communities. Published 2018. This article is a U.S. Government work and is in the public domain in the USA.}, author = {Zhou, Xiaowang W. and Foster, Michael E. and Sills, Ryan B.}, doi = {https://doi.org/10.1002/jcc.25573}, eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25573}, journal = {Journal of Computational Chemistry}, number = {29}, pages = {2420-2431}, title = {An {F}e-{N}i-{C}r embedded atom method potential for austenitic and ferritic systems}, url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.25573}, volume = {39}, year = {2018}, }