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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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A modified embedded atom method interatomic potential for the Cu–Ni system
Calphad, 2004Abstract A semi-empirical interatomic potential, the MEAM, has been applied to obtain an interatomic potential for the Cu–Ni system, based on the previously developed potentials for pure Cu and Ni. The procedure for the determination of potential parameter values is presented.
Lee, BJ, Shim, JH
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A modified embedded atom method interatomic potential for the Ti–N system
Physica B: Condensed Matter, 2009Abstract A modified embedded atom method (MEAM) interatomic potential for the Ti–N system has been developed using previous MEAM potentials of Ti and N. The materials parameters, such as the cohesive energy, equilibrium atomic volume, and bulk modulus, were used to determine the MEAM parameters.
Hanjiang Yu, Fengjiu Sun
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Modified embedded-atom method potential of niobium for studies on mechanical properties
Computational Materials Science, 2019Abstract Niobium (Nb) as a refractory metal has appealing mechanical properties due to high ductility at room temperature. Density functional theory (DFT) calculations confirmed its intrinsic ductility by showing its perfect lattice generates an elastic shear deformation preceding its cleavage fracture under 〈 1 0 0 〉 ideal tensile ...
Chaoming Yang, Liang Qi
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Modified analytic embedded atom method potential for chromium
Modelling and Simulation in Materials Science and Engineering, 2018Keliang Yang +4 more
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