Previous abstract | Graphical version | Text version | Next abstract

Session D40 - Poster Session I.
POSTER session, Monday afternoon, March 12
Exhibit Hall, Washington State Convention Center

[D40.004] The Equations of State for Metal Nanocluster by a New Constant-Pressure Molecular Dynamics Simulation

D. Y. Sun (Institute of Solid State Physics, Academia Sinica, 230031-Hefei, P. R. China), X. G. Gong (Department of Physics, Fudan University, Shanghai 200433, P. R. China, and Institute of Solid State Physics, Academia Sinica, 230031-Hefei, P. R. China)

Recently, we present a new constant-pressure molecular dynamics method for finite system. This method is specially suitable for studying the properties of nonperiodic system under pressure. In this paper, by using the new constant-pressure molecular dynamics method, We study the properties of metal nonaclusters under pressure, the equations of state for these nonaclusters at different temperature are obtained. We found that the bulk moduli increases linearly with the inverse radii of nanocluster and reduces linearly with the increase of the temperature.

Part D of program listing