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Modified embedded-atom method interatomic potential for the Fe–Al system
Journal of Physics: Condensed Matter, 2010An interatomic potential for the Fe-Al binary system has been developed based on the modified embedded-atom method (MEAM) potential formalism. The potential can describe various fundamental physical properties of Fe-Al binary alloys--structural, elastic and thermodynamic properties, defect formation behavior and interactions between defects--in ...
Lee, E, Lee, BJ
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A modified embedded atom method interatomic potential for alloy SiGe
Chemical Physics Letters, 2010We fit a new alloy potential for the SiGe system utilizing existing state of the art MEAM potentials for the Si and Ge elements. The SiGe alloy model was fitted to heats of mixing and deviations from Vergard’s law using three sets of ab initio data points for the zinc-blende structure and one set of ab initio values for nine different SiGe alloy ...
Gregory Grochola +2 more
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Modified embedded-atom method calculation for the Ni–W system
Journal of Materials Research, 2003A semi-empirical interatomic potential of the Ni–W system was developed using a modified embedded-atom method (MEAM) formalism including second-nearest-neighbor interactions. The cross potential was determined by fitting physical properties of tetragonal Ni4W available in the literature. The MEAM potential was used to predict phase stabilities, lattice
Shim, JH, Park, SI, Cho, YW, Lee, BJ
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Improved modified embedded-atom method potentials for gold and silicon
Modelling and Simulation in Materials Science and Engineering, 2009The modified embedded-atom method interatomic potentials for pure gold and pure silicon are improved in their melting point and latent heat predictions, by modifying the multi-body screening function and the equation of state function. The fitting of the new parameters requires rapid calculations of melting point and latent heat, which are enabled by ...
Ryu, SH Ryu, Seunghwa +3 more
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A multi-state modified embedded atom method potential for titanium
Modelling and Simulation in Materials Science and Engineering, 2016The continuing search for broadly applicable, predictive, and unique potential functions led to the invention of the multi-state modified embedded atom method (MS-MEAM) (Baskes et al 2007 Phys. Rev. B 75 094113). MS-MEAM replaced almost all of the prior arbitrary choices of the MEAM electron densities, embedding energy, pair potential, and angular ...
J S Gibson +4 more
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Lattice inversion modified embedded atom method for FCC metals
Computational Materials Science, 2018Abstract The lattice inversion modified embedded atom method (LI-MEAM) is an empirical variant of modified embedded atom method (MEAM) by removing many-body screening function and employing lattice inversion method to considerate the contribution to pair interactions and atomic electron densities from further nearest neighbors.
Xianbao Duan +5 more
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Development of a modified embedded atom method for bcc transition metals
Journal of Physics: Condensed Matter, 2003A new scheme of the modified embedded atom method (MEAM) is developed by modifying the analytic form of the embedding function. The new MEAM parameters for Mo, W, V, Nb, Ta and Fe have been determined by relating them to not only bulk properties but also some non-bulk properties.
Xiaoying Yuan +3 more
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A modified embedded atom method potential for the titanium–oxygen system
Modelling and Simulation in Materials Science and Engineering, 2014We appreciate access to and use of resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We also appreciate access to and use of the Deepthought High Performance Computing Cluster managed by the Division of ...
W J Joost, S Ankem, M M Kuklja
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Second nearest-neighbor modified embedded-atom-method potential
Physical Review B, 2000The modified embedded-atom method, a first nearest-neighbor semiempirical model for atomic potentials, can describe the physical properties of a wide range of elements and alloys with various lattice structures. However, the model is not quite successful for bcc metals in that it predicts the order among the size of low index surface energies ...
Byeong-Joo Lee, M. I. Baskes
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Development of modified embedded atom method for a bcc metal: lithium
Modelling and Simulation in Materials Science and Engineering, 2003A new scheme of modified embedded atom method (MEAM) is proposed in this paper. The analytic form of the embedding function is modified. All the parameters of MEAM have been reset by relating them with bulk properties and some non-bulk properties, for example, the bond length of a dimer and the change of surface interlayer distance.
Xiaoying Yuan +3 more
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