I am looking for a potential function file for Zr-Sn-Nb-Fe or Zr-Sn, Zr-Nb-Fe alloys, which can be used for lammps simulation.
Dear An,
Do you mean potentials for these alloys?
If so, you have four options at least:
> Zr-Nb Potential
Developed by D.E. Smirnova and S.V. Starikov.
It uses ADP, accurately modeling Zr and Nb phases.
Available @
https://www.ctcms.nist.gov/potentials/entry/2017--Smirnova-D-E-Starikov-S-V--Zr-Nb/2017--Smirnova-D-E--Zr-Nb--LAMMPS--ipr1.html
>>Zr-Sn Potential
Developed by Haojie Mei et al.
It includes a MEAM potential for Zr-Sn systems.
Available online too
https://github.com/meihaojie/Zr_Sn_system
>>> Nb-C, Nb-N, Fe-Nb-C, and Fe-Nb-N MEAM
These might serve as references for developing new MEAM potentials for Zr-Sn-Nb-Fe.
Dev. by Byeong-Joo Lee et al.
ResearchGate link
https://www.researchgate.net/publication/231927107_Modified_embedded-atom_method_interatomic_potentials_for_the_Nb-C_Nb-N_Fe-Nb-C_and_Fe-Nb-N_systems
>>>> LAMMPS MEAM/SW/Spline Pair Style
Combines MEAM with Stillinger-Weber (SW).
It is limited to single-element systems, so that multi-component alloys may need modifications.
Check Lammps folder:
LAMMPS MEAM/SW/Spline
Hope it helps&good luck
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