TY - JOUR
T1 - Development of an embedded-atom potential for a bcc metal
T2 - Vanadium
AU - Adams, James B.
AU - Foiles, Stephen M.
PY - 1990
Y1 - 1990
N2 - An empirical embedded-atom potential for a bcc metal (vanadium) has been developed by fitting the embedding function, electron density, and pair interaction to the lattice constant, cohesive energy, elastic constants, and vacancy-formation energy. This potential has been used to calculate vacancy and divacancy properties, interstitial properties, thermal expansion, bulk-phonon dispersion, surface relaxation, surface energy, and liquid volume; in all cases the calculations are in reasonable agreement with experiment.
AB - An empirical embedded-atom potential for a bcc metal (vanadium) has been developed by fitting the embedding function, electron density, and pair interaction to the lattice constant, cohesive energy, elastic constants, and vacancy-formation energy. This potential has been used to calculate vacancy and divacancy properties, interstitial properties, thermal expansion, bulk-phonon dispersion, surface relaxation, surface energy, and liquid volume; in all cases the calculations are in reasonable agreement with experiment.
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U2 - 10.1103/PhysRevB.41.3316
DO - 10.1103/PhysRevB.41.3316
M3 - Article
AN - SCOPUS:0001107899
SN - 0163-1829
VL - 41
SP - 3316
EP - 3328
JO - Physical Review B
JF - Physical Review B
IS - 6
ER -