Metal Clusters: Dynamics and Structure
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 Carlo/Molecular 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 Pt3;1 structure and growth mechanisms of Pd two-dimensional clusters (islands) on bcc(110) substrates as a function of coverage; structure, growth, and interdiffusion of Ni films on Ag(100); 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.
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 14, 1993
- Accession Number
- ADA276655
Entities
People
- Emily A. Carter
Organizations
- University of California, Los Angeles