ZrCuAl

EAM Potentials

Latest: ZrCuAl.lammps.eam (10/10/2011)

Potential plots: pair functions, density functions and embedding functions. 

First-principles database for ZrCuAl potential development. 

Old version 1: ZrCuAl_lammps.eam (09/09/2009) 

Note: We made a labeling mistake in the potential plot (supplementary materials Fig. S1) of our recent publication, Y.Q.Cheng, E.Ma and H.W.Sheng,  "Atomic Level Structure in Multicomponent Bulk Metallic Glass", PRL 102, 245501 (2009). The correct potential plots should be referred to as follows:

Lammps Examples

MD simulation of the glass formation of Zr47Cu46Al7: input script and initial atomic configuration

ZrCuAl crystal properties predicted by EAM

Equation of State: EAM vs. Ab initio

Ab initio Calculations