@Comment { \documentclass{article} \usepackage{url} \begin{document} This Model originally published in \cite{OpenKIM-MO:344019981553:000a} is archived in \cite{OpenKIM-MO:344019981553:000, OpenKIM-MD:077075034781:005, tadmor:elliott:2011, elliott:tadmor:2011}. \bibliographystyle{vancouver} \bibliography{kimcite-MO_344019981553_000.bib} \end{document} } @Misc{OpenKIM-MO:344019981553:000, author = {Sayyed Jalil Mahdizadeh and Golnoosh Akhlamadi}, title = {{T}ersoff-style three-body potential for {G}e developed by {M}ahdizadeh and {A}khlamadi (2017) v000}, doi = {10.25950/e426db32}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/e426db32}}, keywords = {OpenKIM, Model, MO_344019981553_000}, publisher = {OpenKIM}, year = 2022, } @Misc{OpenKIM-MD:077075034781:005, author = {Tobias Brink and Aidan P. Thompson and David E. Farrell and Mingjian Wen and Jerry Tersoff and J. Nord and Karsten Albe and Paul Erhart and Kai Nordlund and James F. Ziegler and Jochen P. Biersack and U. Littmark}, title = {{M}odel driver for {T}ersoff-style potentials ported from {LAMMPS} v005}, doi = {10.25950/9a7dc96c}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/9a7dc96c}}, keywords = {OpenKIM, Model Driver, MD_077075034781_005}, 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{OpenKIM-MO:344019981553:000a, abstract = {In the current work, the issue of re-parameterization of Tersoff empirical potential model was addressed for 2D nanomaterial ‘germanene’ to be applied in molecular dynamics simulation based studies. The well-known chi-square minimization procedure was used to optimize the original Tersoff potential parameters. Many properties of germanene were extracted using both original and optimized Tersoff potentials and they compared with the corresponding density functional theory data. According to the results, the optimized Tersoff potential provides a significant improvement in many structural, thermodynamic, mechanical, and thermal properties of geramanene.}, author = {Mahdizadeh, Sayyed Jalil and Akhlamadi, Golnoosh}, doi = {https://doi.org/10.1016/j.jmgm.2016.11.009}, issn = {1093-3263}, journal = {Journal of Molecular Graphics and Modelling}, keywords = {Optimized Tersoff potential, Germanene, Molecular dynamics simulation}, pages = {1-5}, title = {Optimized {T}ersoff empirical potential for germanene}, url = {https://www.sciencedirect.com/science/article/pii/S1093326316303047}, volume = {72}, year = {2017}, }