Stability of face-centered cubic and icosahedral Lennard-Jones clusters.

Autor: van de Waal, Benjamin W.
Předmět:
Zdroj: Journal of Chemical Physics; 3/15/1989, Vol. 90 Issue 6, p3407, 2p
Abstrakt: The binding energies of solid Lennard-Jones clusters of various sizes and shapes have been calculated and compared. A crossover from the icosahedral to the bulk fcc structure is expected to take place in the 3000 atoms size region, in agreement with experiment. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index