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Grelska, Joanna, 2026, "High entropy alloy (TiVNb)85Al5Mo10 RMCProfile7 data", https://doi.org/10.58132/PKYHMQ, Dane Badawcze UW, V1
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Input files and results for RMCProfile7 simulations of high entropy alloy called (TiVNb)85Al5Mo10. Input file .dat is required to run simulations with 64 random starting configurations .rmc7, and experimental files of structure factor .fq, Bragg data fit files .instprm, .pwdrbck and .txt. Results called step_2 are obtained after two step of 72h calculations. The data help to describe local structure, interatomic distances and average coordination number of high entropy alloy.
monte carlo simulations, high entropy alloy
Nayely Pineda Romero, Joanna Grelska, Wojciech A. Sławiński, Jakub Čížek, Oksana Melikhova, Claudia Zlotea, Low mobility of crystalline defects improves the cycle life stability of Alx(TiVNb)1-x-yMoy alloys for hydrogen storage, Journal of Alloys and Compounds, Volume 1057, 2026, 186661, ISSN 0925-8388, https://doi.org/10.1016/j.jallcom.2026.186661. https://doi.org/10.1016/j.jallcom.2026.186661 doi: 10.1016/j.jallcom.2026.186661
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