Effective Medium Theory (EMT) model based on the EMT implementation in ASAP (https://wiki.fysik.dtu.dk/asap). This model uses the asap_emt_driver model driver. Effective Medium Theory is a many-body potential of the same class as Embedded Atom Method, Finnis-Sinclair etc. The main term in the energy per atom is the local density of atoms. The functional form implemented here is that of Ref. 1. The principles behind EMT are described in Refs. 2 and 3 (with 2 being the more detailed and 3 being the most pedagogical). Be aware that the functional form and even some of the principles have changed since refs 2 and 3. EMT can be considered the last step of a series of approximations starting with Density Functional Theory, see Ref 4. This model implements a special parametrisation optimized for CuMg [5] and CuZr [6] bulk metallic glasses ONLY! Note that while this model might give reasonable results for other CuMg and CuZr compounds, it has not at all been optimized to give reasonable results for materials containing both Mg and Zr. REFERENCES: [1] Jacobsen, K. W., Stoltze, P., & Nørskov, J.: "A semi-empirical effective medium theory for metals and alloys". Surf. Sci. 366, 394–402 (1996). [2] Jacobsen, K. W., Nørskov, J., & Puska, M.: "Interatomic interactions in the effective-medium theory". Phys. Rev. B 35, 7423–7442 (1987). [3] Jacobsen, K. W.: "Bonding in Metallic Systems: An Effective-Medium Approach". Comments Cond. Mat. Phys. 14, 129-161 (1988). [4] Chetty, N., Stokbro, K., Jacobsen, K. W., & Nørskov, J.: "Ab initio potential for solids". Phys. Rev. B 46, 3798–3809 (1992). [5] Bailey, N., Schiøtz, J., & Jacobsen, K. W.: "Simulation of Cu-Mg metallic glass: Thermodynamics and structure". Phys. Rev. B 69, 144205 (2004). [6] Paduraru, A., Kenoufi, A., Bailey, N. P., & Schiøtz, J.: "An interatomic potential for studying CuZr bulk metallic glasses". Adv. Eng. Mater. 9, 505–508 (2007). KNOWN ISSUES / BUGS: Please see the README file in model_AlAgAuCuNiPdPt_PF_AsapEMTstandard # Now comes some Emacs stuff.... # Local Variables: # mode: text # fill-column: 78 # coding: utf-8 # End: