Baed on an empirical potential we newly derived by the embedded-atom method,we have performed calculations of cohesive energies and stable structures for gold and silver clusters with up to 13 atoms.

Based on the interaction potential model of CO absorbed on the Pt low-index surfaces,by using the embedded-atom method,both the numerical solution of the Schrdinger equation and the eigenvibrational energies of CO-Pt system are obtained,and the anharmonic spectrum expressions are given.

Theembedded-atom method has been used to compulate the alloy's muchcharacter, such as the formation enthalpy, the suface gather, vacantposition enthalpy, and so on, which proves that the method is successfulfor the study of alloy's performance.

The modified embedded atom method (MEAM) was used to systematically study the order and disorder phases with fcc or bcc structure in Fe Ni alloys, in which the relationship between the content of Ni and the probability for an atom occupying a lattice point was introduced to compute the energies of disorder phases.

Using molecular dynamics simulation with the modified analytic embedded-atom method (MAEAM), we calculated Gibbs free energy and surface free energy of bcc Mo with high melting temperature T_f, and further obtained the Gibbs free energy of its nanofilms.

Molecular dynamics analysis of argon atom indentation on crystal substrate;

MAEAM Simulation on the Formation and Migration of the Vacancies in BCC Transition Metals;

Interface-energies of Ag(111)//Ni(001) and Ag(001)//Ni(111) twist boundaries have been calculated with the modified afom-embeded analysis method(MAEAM).

Combining the theory of lattice dynamics with the modified analytic embedded atom method (MAEAM),the phonon dispersion of Li, Na, K, Rb and Cs have been calculated along three principal symmetry directions [00ζ], [ζζζ]and [0ζζ].