Molecular dynamics simulation of water n
β
Giulio Barabino; Cesare-Gavotti; Michele Marchesi
π
Article
π
1984
π
Elsevier Science
π
English
β 592 KB
Two molecular dynamics simulations, lasting 14 and 24 ps, have been performed with 150 water molecules between two walls. The waII potential is obtained by modeUing the wail as a lattice of fmed atoms, interacting with water atoms via a Lennard-Jones potential, and averaging the results. One simulat