Accession Number:

ADA276655

Title:

Metal Clusters: Dynamics and Structure

Descriptive Note:

Final technical rept. 15 Dec 1991-14 Dec 1993

Corporate Author:

CALIFORNIA UNIV LOS ANGELES DEPT OF CHEMISTRY AND BIOCHEMISTRY

Personal Author(s):

Report Date:

1993-12-14

Pagination or Media Count:

16.0

Abstract:

During the tenure of this grant, we have examined the dynamics and structure of metal clusters in the gas phase and on surfaces. We have extended the concept of cluster to also examine metallic interactions in two-dimensional islands and thin films. We have used both quantum mechanical approaches and classical Monte CarloMolecular Dynamics simulations, In addition, we have continued our development of a new first principles dynamics scheme specifically designed with atomic clusters in mind. The project we have completed include the electronic structure and metal-metal bonding in low-lying states of Pt2 and Pt31 structure and growth mechanisms of Pd two-dimensional clusters islands on bcc110 substrates as a function of coverage structure, growth, and interdiffusion of Ni films on Ag100 development of a systematic guide to choosing the size and shape of a simulation cell using periodic boundary conditions for use in studying interfaces between crystalline solids of different density and symmetry.

Subject Categories:

  • Inorganic Chemistry
  • Physical Chemistry
  • Atomic and Molecular Physics and Spectroscopy
  • Solid State Physics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE