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393 research outcomes, page 1 of 40
  • Effective Medium Theory (EMT) model based on the EMT implementation in ASAP (https://wiki.fysik.dtu.dk/asap). 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 loc...

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  • This is a driver for the Lennard-Jones (LJ) 6-12 pair potential model, uniformly shifted by a constant value so as to have zero energy at the cutoff radius. The driver reads in the cutoff radius and the LJ parameters energy (in eV) and sigma (in Angstrom).

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  • software . 2019
    Authors:
    Schiøtz, Jakob;
    Persistent Identifiers
    Publisher: OpenKIM

    Effective Medium Theory (EMT) model based on the EMT implementation in ASAP (https://wiki.fysik.dtu.dk/asap). 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 loc...

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  • This is a Pb Morse Model Parameterization by Girifalco and Weizer (1959) using a medium-accuracy cutoff distance. The Morse parameters were calculated using experimental values for the energy of vaporization, the lattice constant, and the compressibility. The equation o...

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  • software . 2018
    Authors:
    Landa, Alexander;
    Persistent Identifiers
    Publisher: OpenKIM

    Empirical many-body potentials of the glue-type have been constructed for the Al–Pb system using the 'force matching' method. The potentials are fitted to experimental data, physical quantities derived from ab initio linear muffin-tin orbitals calculations and a massive...

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  • An improved EAM alloy potential describing properties of several phases of the Ni-Al system. Obtained by crossing the previously developed EAM potentials for pure Ni and Al (Y. Mishin, D. Farkas, M.J. Mehl, and D.A. Papaconstantopoulos, "Interatomic potentials for monoa...

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  • software . 2018
    Authors:
    Admal, Nikhil Chandra;
    Persistent Identifiers
    Publisher: OpenKIM

    Smoothed Lennard-Jones (LJ) parameterization for Ar. The LJ parameters epsilon and sigma are due to Bernardes (1958). See the parameter file (.params) for more details.

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  • software . 2018
    Authors:
    Ellad Tadmor;
    Persistent Identifiers
    Publisher: OpenKIM

    EAM potential for the Al-Cu system developed by Liu et al. (1999). The potential was used to study electromigration in Al-Cu interconnects.

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  • software . 2019
    Authors:
    Junhao Li And Ellad Tadmor;
    Publisher: OpenKIM

    Computes the cubic elastic constants for some common crystal types (fcc, bcc, sc, diamond) by calculating the hessian of the energy density with respect to strain. An estimate of the error associated with the numerical differentiation performed is reported.

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  • Lennard-Jones (LJ) parameterization for Ar. The LJ parameters epsilon and sigma are due to Bernardes (1958). The cutoff radius is set so that phi(rcut)=tol*|phi(rmin)|, where phi(r) is the LJ potential, 'rcut' is the cutoff radius, 'rmin' is the radius at which phi(r) i...

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393 research outcomes, page 1 of 40