caa a22 4500 388021985 CHVBK 20180307124927.0 cr unu---uuuuu 161130e199807 xx s 000 0 eng 10.1557/JMR.1998.0271 doi S0884291400045076 pii (NATIONALLICENCE)cambridge-10.1557/JMR.1998.0271 Analytic embedded atom method potentials for face-centered cubic metals [Elektronische Daten] The universal form of embedding function suggested by Banerjea and Smith together with a pair-potential of the Morse form are used to obtain embedded atom method (EAM) potentials for fcc metals: Cu, Ag, Au, Ni, Pd, and Pt. The potential parameters are determined by fitting to the Cauchy pressure (C12 − C44)/2, shear constant GV = (C11 − C12 + 3C44)/5, and C44, the cohesive energy and the vacancy formation energy. The obtained parameters are utilized to calculate the unrelaxed divacancy binding energy and the unrelaxed surface energies of three low-index planes. The calculated quantities are in reasonable agreement with the experimental values except perhaps the divacancy energy in a few cases. In a further application, lattice dynamics of these metals are discussed using the present EAM potentials. On comparison with experimental phonons, the agreement is good for Cu, Ag, and Ni, while in the other three metals, Au, Pd, and Pt, the agreement is not so good. The phonon spectra are in reasonable agreement with the earlier calculations. The frequency spectrum and the mean square displacement of an atom in Cu are in agreement with the experiment and other calculated results. Copyright © Materials Research Society 1998 Pohlong S. S. Department of Physics, North Eastern Hill University, Shillong, 793022, Meghalaya, India Ram P. N. Department of Physics, North Eastern Hill University, Shillong, 793022, Meghalaya, India Journal of Materials Research Cambridge University Press 13/7(1998-07), 1919-1927 0884-2914 13:7<1919 1998 13 JMR https://doi.org/10.1557/JMR.1998.0271 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1557/JMR.1998.0271 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Pohlong S. S. Department of Physics, North Eastern Hill University, Shillong, 793022, Meghalaya, India NATIONALLICENCE 700 1- Ram P. N. Department of Physics, North Eastern Hill University, Shillong, 793022, Meghalaya, India NATIONALLICENCE 773 0- Journal of Materials Research Cambridge University Press 13/7(1998-07), 1919-1927 0884-2914 13:7<1919 1998 13 JMR CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-cambridge