@Comment { \documentclass{article} \usepackage{url} \begin{document} This Model originally published in \cite{OpenKIM-MO:455557982718:000a} is archived in the OpenKIM repository \cite{tadmor:elliott:2011, elliott:tadmor:2011} at \cite{OpenKIM-MO:455557982718:000, OpenKIM-MD:120291908751:006}. \bibliographystyle{vancouver} \bibliography{kimcite-MO_455557982718_000.bib} \end{document} } @Misc{OpenKIM-MO:455557982718:000, author = {Yangchun Chen and Xichuan Liao and Ning Gao and Wangyu Hu and Fei Gao and Huiqiu Deng}, title = {{F}innis-{S}inclair potential for {W} and {M}o binary systems developed by {C}hen, {L}iao, {G}ao et al. (2020) v000}, doi = {10.25950/c7dad8ca}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/c7dad8ca}}, keywords = {OpenKIM, Model, MO_455557982718_000}, publisher = {OpenKIM}, year = 2025, } @Misc{OpenKIM-MD:120291908751:006, 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} v006}, doi = {10.25950/233cb735}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/233cb735}}, keywords = {OpenKIM, Model Driver, MD_120291908751_006}, publisher = {OpenKIM}, year = 2025, } @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:455557982718:000a, abstract = {Interatomic potentials for tungsten–vanadium (W–V) and tungsten–molybdenum (W–Mo) binary systems have been developed based on Finnis–Sinclair formalism. The potentials are based on an accurate previously developed potential of pure W. Potential parameters of V–V, Mo–Mo, W–V and W–Mo were determined by fitting to a large database of experimental data as well as first principle calculations. These potentials were able to describe various fundamental physical properties of pure V and Mo, such as a lattice constant, cohesive energy, elastic constants, bulk modulus, vacancy and self-interstitial atom formation energies, stacking fault energies and a relative stability of <100> and ½<111> interstitial dislocation loops. Other fundamental properties of the potentials described included alloy behaviours, such as the formation energies of substitutional solute atoms, binding energies between solute atoms and point defects, formation energies and lattice constants of artificial ordered alloys. These results are in reasonable agreement with experimental or first principle results. Based on these results, the developed potentials are suitable for studying point defect properties and can be further used to explore displacement cascade simulations.}, author = {Chen, Yangchun and Liao, Xichuan and Gao, Ning and Hu, Wangyu and Gao, Fei and Deng, Huiqiu}, doi = {https://doi.org/10.1016/j.jnucmat.2020.152020}, issn = {0022-3115}, journal = {Journal of Nuclear Materials}, keywords = {W–V, W–Mo, Interatomic potentials, Point defects, Molecular dynamics simulation}, pages = {152020}, title = {Interatomic potentials of W–V and W–Mo binary systems for point defects studies}, url = {https://www.sciencedirect.com/science/article/pii/S0022311519308979}, volume = {531}, year = {2020}, }