Generated Forcefields

LAMMPS eam/alloy forcefields for Zr, Zr-H, and binary Zr-H systems

As reported in M. Christensen, W. Wolf, C. Freeman, E. Wimmer, R.B. Adamson, L. Hallstadius, P.E. Cantonwine, and E.V. Mader "Diffusion of point defects, nucleation of dislocation loops, and effect of hydrogen in hcp-Zr: Ab initio and classical simulations" Journal of Nuclear Materials 460, 82 (2015)

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Attachment	Size
Zr_V12.eam.alloy	709.28 KB
ZrH_v4.eam.alloy	1.66 MB
ZrCr_V12.eam.alloy	1.63 MB
ZrFe_V12.eam.alloy	1.62 MB
ZrNb_V12.eam.alloy	1.63 MB
ZrO_V12.eam.alloy	1.63 MB
ZrSn_V12.eam.alloy	1.63 MB