× Updated! Potentials that share interactions are now listed as related models.
Citation: W.-S. Ko, D.-H. Kim, Y.-J. Kwon, and M. Lee (2018), "Atomistic Simulations of Pure Tin Based on a New Modified Embedded-Atom Method Interatomic Potential", Metals, 8(11), 900. DOI: 10.3390/met8110900.
Abstract: A new interatomic potential for the pure tin (Sn) system is developed on the basis of the second-nearest-neighbor modified embedded-atom-method formalism. The potential parameters were optimized based on the force-matching method utilizing the density functional theory (DFT) database of energies and forces of atomic configurations under various conditions. The developed potential significantly improves the reproducibility of many fundamental physical properties compared to previously reported modified embedded-atom method (MEAM) potentials, especially properties of the β phase that is stable at the ambient condition. Subsequent free energy calculations based on the quasiharmonic approximation and molecular-dynamics simulations verify that the developed potential can be successfully applied to study the allotropic phase transformation between α and β phases and diffusion phenomena of pure tin.

LAMMPS pair_style meam (2018--Ko-W-S--Sn--LAMMPS--ipr1)
See Computed Properties
Notes: These files were sent by Won-Seok Ko (School of Materials Science and Engineering, University of Ulsan) on 5 Nov. 2018 and posted with his permission.
Citation: R.S. Elliott, and A. Akerson (2015), "Efficient "universal" shifted Lennard-Jones model for all KIM API supported species".

Notes: This is the Sn interaction from the "Universal" parameterization for the openKIM LennardJones612 model driver.The parameterization uses a shifted cutoff so that all interactions have a continuous energy function at the cutoff radius. This model was automatically fit using Lorentz-Berthelotmixing rules. It reproduces the dimer equilibrium separation (covalent radii) and the bond dissociation energies. It has not been fitted to other physical properties and its ability to model structures other than dimers is unknown. See the README and params files on the KIM model page for more details.

See Computed Properties
Notes: Listing found at https://openkim.org.
Citation: K.-H. Kim, J.B. Jeon, and B.-J. Lee (2015), "Modified embedded-atom method interatomic potentials for Mg-X (X=Y, Sn, Ca) binary systems", Calphad, 48, 27-34. DOI: 10.1016/j.calphad.2014.10.001.
Abstract: Interatomic potentials for pure Ca and Mg-X (X=Y,Sn,Ca) binary systems have been developed on the basis of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials can describe various fundamental physical properties of pure Ca (bulk, defect and thermal properties) and the alloy behavior (structural, thermodynamic and defect properties of solid solutions and compounds) of binary systems in reasonable agreement with experimental data or first-principles and other calculations. The applicability of the developed potentials to atomistic investigations of the deformation behavior of Mg and its alloys is discussed together with some challenging points that need further attention.

See Computed Properties
Notes: These potential files were obtained from http://cmse.postech.ac.kr/home_2nnmeam, accessed Nov 9, 2020.
Citation: S.A. Etesami, M.I. Baskes, M. Laradji, and E. Asadi (2018), "Thermodynamics of solid Sn and Pb-Sn liquid mixtures using molecular dynamics simulations", Acta Materialia, 161, 320-330. DOI: 10.1016/j.actamat.2018.09.036.
Abstract: We present a new set of modified embedded-atom method parameters for the Pb-Sn system that describes many 0 K and high temperature properties including melting point, elastic constants, and enthalpy of mixing for solid and liquid Pb-Sn alloys in agreement with experiments. Then, we calculate the phase diagram of the Sn-rich side of Pb-Sn alloys utilizing a hybrid Molecular Dynamics/Monte Carlo simulation that agrees with experimental solidus and liquidus curves as well as stability of α-Sn and β-Sn. In addition, we present structure factors of Pb-Sn liquid alloys as well as temperature-dependent thermal expansion coefficients and heat capacity. Our simulations show that the ratios of the heights of the second and third peaks over the first peak for Pb-Sn liquid mixtures are maximum at Pb-0.6Sn concentration.

Notes: Update 2018-09-28: Reference information updated.

See Computed Properties
Notes: This file was sent by S. A. Etesami (University of Memphis) on 17 September 2018 and posted with his permission. Update 2018-09-28: files renamed at the request of the authors. Old names were library.PbSn.meam and PbSn.meam
Date Created: October 5, 2010 | Last updated: June 09, 2022