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Showing 1 to 4 of 4 for “"embedded atom potentials"”.
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Phonon spectra and thermal properties of some fcc metals using embedded-atom potentials /
By employing the embedded-atom potentials of Mei et ai.[l], we have calculated the dynamical matrices and phonon dispersion curves for six fee metals (Cu,Ag,Au,Ni,Pd and Pt). We have also investigated, within the quasiharmonic approximation, some other thermal properties of these metals which …
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Multiscale modeling of thin film deposition processes
… process, molecular dynamics (MD) techniques with embedded-atom potentials are used to study the surface reactions for atoms with high impinging energies (30 - 50 eV). The surface reaction rates are combined with ballistic transport and level set methods. The resulting tool demonstrates the effect …
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Defect Structures in Ordered Intermetallics; Grain Boundaries and Surfaces in FeAl, NiAl, CoAl and TiAl
… in some of these compounds. The relaxed atomistic grain boundary structures in B2 aluminides, FeAl, NiAl and CoAl and <I>L</I>1₀ γ-TiAl were investigated using molecular statics and embedded atom potentials in order to explore general trends for a series of B2 compounds as well as TiAl. …
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Atomic Simulations of PD-H and HI-H Using EAM Potentials
Made available in DSpace on 2017-07-06T18:42:12Z (GMT). No. of bitstreams: 3 Aktas_Ayten_C_MS.pdf: 43785060 bytes, checksum: 7c5e787622ceaed008541b22f297379e (MD5) Aktas_Ayten_C_MS_ABS.pdf: 502525 bytes, checksum: 94b9ca91c351f84f71fecb7c6687db9b (MD5) license.txt: 4813 bytes, checksum: …