{"description" "Effective Medium Theory (EMT) model based on the EMT implementation in\nASAP (https://wiki.fysik.dtu.dk/asap). This model uses the asap_emt_driver\nmodel driver.\n\nEffective Medium Theory is a many-body potential of the same class as Embedded\nAtom Method, Finnis-Sinclair etc. The main term in the energy per atom is the\nlocal density of atoms.\n\nThe functional form implemented here is that of Ref. 1. \nThis model implements a special parametrisation optimized for CuMg [2] and \nCuZr [3] bulk metallic glasses ONLY! Note that while this model might give \nreasonable results for other CuMg and CuZr compounds, it has not at all been \noptimized to give reasonable results for materials containing both Mg and Zr." "disclaimer" "This model implements a special parametrisation optimized for CuMg and \nCuZr bulk metallic glasses ONLY! Note that while this model might give \nreasonable results for other CuMg and CuZr compounds, it has not at all been \noptimized to give reasonable results for materials containing both Mg and Zr." "domain" "openkim.org" "kim-api-version" "1.6" "extended-id" "EMT_Asap_MetalGlass_CuMgZr__MO_655725647552_001" "model-driver" "EMT_Asap__MD_128315414717_001" "source-citations" "Jacobsen, K. W., Stoltze, P., & Nørskov, J.: \"A semi-empirical effective\nmedium theory for metals and alloys\". Surf. Sci. 366, 394–402 (1996).\n\nBailey, N., Schiøtz, J., & Jacobsen, K. W.: \"Simulation of Cu-Mg metallic \nglass: Thermodynamics and structure\". Phys. Rev. B 69, 144205 (2004).\n\nPaduraru, A., Kenoufi, A., Bailey, N. P., & Schiøtz, J.: \"An interatomic\npotential for studying CuZr bulk metallic glasses\". Adv. Eng. Mater. 9, 505–508 \n(2007)." "species" ["Zr" "Mg" "Cu"] "title" "Effective Medium Theory potential for CuMg and CuZr alloys, in particular metallic glasses." "creator" "Jakob Schiøtz" "contributor-id" "cd17c370-4feb-4b65-8830-079f1ed1c17f" "maintainer-id" "cd17c370-4feb-4b65-8830-079f1ed1c17f" "publication-year" "2014"}