Self-point defect trapping responsible for radiation swelling reduction in V–Ti alloys

Boev, A.O.; Nelasov, I. V.; Липницкий, А. Г.; Kartamyshev, A.I.; Aksyonov, Dmitry A.

doi:10.1016/j.ssc.2021.114252

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“…To test the constructed potential in the reproducibility of the nonfitted quantities, we employed our developed program package for molecular dynamics simulations, which was extensively tested in previous works devoted to the construction of the interatomic potentials for pure V and Ti [8,9], binary potential Ti-V [18], and calculations of diffusivity in Ti-V system [29]. To extend the availability of our interatomic potentials to the broader simulation community, we also implemented them into the LAMMPS package [30]; see Supplementary materials for additional information.…”

Section: Simulation Softwarementioning

confidence: 99%