@Comment { \documentclass{article} \usepackage{url} \begin{document} This Simulator Model originally published in \cite{OpenKIM-SM:887684855692:000a} is archived in \cite{OpenKIM-SM:887684855692:000, tadmor:elliott:2011, elliott:tadmor:2011}. \bibliographystyle{vancouver} \bibliography{kimcite-SM_887684855692_000.bib} \end{document} } @Misc{OpenKIM-SM:887684855692:000, author = {Xiaowang Zhou and Reese E. Jones and Kevin Chu}, title = {{LAMMPS} {S}tillinger-{W}eber potential for the {I}n-{G}a-{N} system developed by {Z}hou, {J}ones and {C}hu (2017) and implemented using the polymorphic framework of {Z}hou et al. (2015) v000}, doi = {10.25950/de69a78d}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/de69a78d}}, keywords = {OpenKIM, Simulator Model, SM_887684855692_000}, publisher = {OpenKIM}, year = 2022, } @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:887684855692:000a, abstractnote = {A Stillinger-Weber potential is computationally very efficient for molecular dynamics simulations. Despite its simple mathematical form, the Stillinger-Weber potential can be easily parameterized to ensure that crystal structures with tetrahedral bond angles (e.g., diamond-cubic, zinc-blende, and wurtzite) are stable and have the lowest energy. As a result, the Stillinger-Weber potential has been widely used to study a variety of semiconductor elements and alloys. When studying an A-B binary system, however, the Stillinger-Weber potential is associated with two major drawbacks. First, it significantly overestimates the elastic constants of elements A and B, limiting its use for systems involving both compounds and elements (e.g., an A/AB multilayer). Second, it prescribes equal energy for zinc-blende and wurtzite crystals, limiting its use for compounds with large stacking fault energies. Here in this paper, we utilize the polymorphic potential style recently implemented in LAMMPS to develop a modified Stillinger-Weber potential for InGaN that overcomes these two problems.}, author = {Zhou, Xiaowang W. and Jones, Reese E. and Chu, Kevin}, doi = {10.1063/1.5001339}, issn = {0021-8979}, journal = {Journal of Applied Physics}, month = {dec}, number = {23}, place = {United States}, title = {Polymorphic improvement of Stillinger-Weber potential for {InGaN}}, url = {https://www.osti.gov/biblio/1421617}, volume = {122}, year = {2017}, }