Ab initio pair potentials at metal-ceram
β
Yugui Yao; Ying Zhang
π
Article
π
1999
π
Elsevier Science
π
English
β 184 KB
A systematic approach is proposed to obtain the interfacial interatomic potentials. By inverting ab initio adhesive energy curves for the metal-MgO ceramic interfaces, We derive interfacial potentials between Ag and O 2y , Ag and Mg 2q , Al and O 2y , Al and Mg 2q . The interfacial potentials, obtai