Cu(111) and Ag(111) surface-phonon spectrum: The importance of avoided crossings

Vibrational and thermodynamic properties of metals from a model embedded-atom potential

“…In most cases thorough studies of bulk crystalline properties, such as the vibrational [20][21][22] and thermodynamic properties, have not been carried out. Such studies can provide important information about the general effectiveness of the models to the community of researchers involved in the application of the EAM to the study of metallic systems.…”

“…Johnson [19] has used the EAM to calculate heats of formation of a large number of binary alloys. There are a large number of surface and interface studies [20][21][22][23][24][25][26][27][28][29] involving the EAM by Daw, Nelson, Foiles, Baskes and co-workers. Readers interested in the formulation and applications of the EAM method should consult the review article by Daw et al [30].…”

Density-gradient-corrected embedded atom method

“…To date, EAM has been applied to a variety of material systems, such as liquids, metals and alloys, semiconductors, ceramics, polymers, nanostructures, and composite materials. Examples of problems that EAM has studied include structure, energetics and dynamics of lattice defects, [3][4][5] elastic response and phonons, [6][7][8] fracture and plastic deformation, [9][10][11] surface and surface growth, [12][13][14][15] thermodynamics properties, 16 phase transitions, 17 etc. The applications of EAM simulations have been reviewed in Ref.…”

Simulating Interface Growth and Defect Generation in CZT – Simulation State of the Art and Known Gaps

“…The EAM has been applied to a large variety of problems related to properties of metals, such as the structure, dynamics, phase transitions, vibrations, diffusion, and segregation. Some of the applications of the EAM appearing in the literature include bulk properties [248], grain boundaries [249], surfaces [250], alloys [251], defect properties [250,252] and mechanical thermal dynamics properties [253]. In general, the potential parameters were optimized by adjusting the properties predicted by the potential to fit the experimental data, including the lattice parameters, elastic constants, cohesive energy and defect formation energies.…”