An embedded-atom potential for the Cu–Ag system
نویسندگان
چکیده
منابع مشابه
An embedded-atom potential for the Cu–Ag system
A new embedded-atom method (EAM) potential has been constructed for Ag by fitting to experimental and first-principles data. The potential accurately reproduces the lattice parameter, cohesive energy, elastic constants, phonon frequencies, thermal expansion, lattice-defect energies, as well as energies of alternate structures of Ag. Combining this potential with an existing EAM potential for Cu...
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An embedded-atom potential has been constructed for the intermetallic compound B2-NiAl by fitting to both experimental properties and ab initio data. The ab initio data have been generated in the form of energy-volume relations for a number of alternative structures of NiAl and Ni3Al, as well as for Ni and Al. The potential accurately reproduces the basic lattice properties of B2-NiAl, planar f...
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A modified embedded-atom method (MEAM) interatomic potential for the Fe–C binary system has been developed using previous MEAM potentials of Fe and C. The potential parameters were determined by fitting to experimental information on the dilute heat of solution of carbon, the vacancy–carbon binding energy and its configuration, the location of interstitial carbon atoms and the migration energy ...
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Magnetic tunnel junctions (MTJs) require the growth of a thin (∼20 Å) dielectric metal oxide layer, such as Al2O3, on a ferromagnetic metal layer, such as Co, CoFe, or CoNiFe. The atomic assembly mechanisms that combine to form a uniformly thin metal oxide layer on these metal surfaces are not well understood. The application of molecular dynamics simulations to the growth of metal and metal ox...
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ژورنال
عنوان ژورنال: Modelling and Simulation in Materials Science and Engineering
سال: 2006
ISSN: 0965-0393,1361-651X
DOI: 10.1088/0965-0393/14/5/002