@Comment { \documentclass{article} \usepackage{url} \begin{document} This Model originally published in \cite{OpenKIM-MO:473237400492:000a} is archived in the OpenKIM repository \cite{tadmor:elliott:2011, elliott:tadmor:2011} at \cite{OpenKIM-MO:473237400492:000, OpenKIM-MD:120291908751:006}. \bibliographystyle{vancouver} \bibliography{kimcite-MO_473237400492_000.bib} \end{document} } @Misc{OpenKIM-MO:473237400492:000, author = {Yangchun Chen and Jingzhong Fang and Lixia Liu and Wangyu Hu and Chao Jiang and Ning Gao and Hong-Bo Zhou and Guang-Hong Lu and Fei Gao and Huiqiu Deng}, title = {{EAM} potential ({LAMMPS} cubic hermite tabulation) for {W}-{R}e with improved representations over the 2018 potential, developed by {C}hen, {L}i, {G}ao et al. (2018) v000}, doi = {10.25950/22ef7d73}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/22ef7d73}}, keywords = {OpenKIM, Model, MO_473237400492_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:473237400492:000a, abstract = {Tungsten (W) and W-based alloys are the leading candidates for plasma-facing materials (PFMs) in future fusion reactors. However, the high energy neutrons generated in fusion reactions not only result in cascade damages but also cause W transmutation. Both the irradiation defects and transmutation products, mainly rhenium (Re), have serious effects on the service behaviors of W PFMs. In this work, we have systematically investigated the interaction between Re and the self-interstitial atoms, self-interstitial clusters and 1/2<111> interstitial dislocation loops in bulk W using molecular dynamics and statics simulations. It is found that there is a strong attractive interaction between an interstitial W atom and a substitutional Re atom, forming a Re–W dumbbell that migrates 3-dimentionally due to the low migration and rotation energies. The small SIA clusters strongly bind with both the substitutional Re atoms and an interstitial Re atom (Re–W mixed dumbbell), thus decreasing the mobility of these clusters. The strong attractive interaction between a Re atom and a 1/2<111> interstitial dislocation loop occurs when the Re atom is located at the core of the loop, and also, their interaction distance along <111> direction is large. The mobility of the 1/2<111> interstitial dislocation loop decreases progressively with increasing Re concentration.}, author = {Chen, Yangchun and Fang, Jingzhong and Liu, Lixia and Hu, Wangyu and Jiang, Chao and Gao, Ning and Zhou, Hong-Bo and Lu, Guang-Hong and Gao, Fei and Deng, Huiqiu}, doi = {https://doi.org/10.1016/j.jnucmat.2019.05.003}, issn = {0022-3115}, journal = {Journal of Nuclear Materials}, keywords = {Tungsten, Rhenium, Defects, Molecular dynamics simulation}, pages = {200-211}, title = {The interactions between rhenium and interstitial-type defects in bulk tungsten: A combined study by molecular dynamics and molecular statics simulations}, url = {https://www.sciencedirect.com/science/article/pii/S0022311518315356}, volume = {522}, year = {2019}, }