MD STUDY OF THE MIXED-ALKALI EFFECT IN TERMS OF THE POTENTIAL SURFACEIN THE LITHIUM-POTASSIUM METASILICATE GLASS

Interception of jump path among the unlike alkali ion sites has been f ound in a previous molecular dynamics study of lithium-potassium metas ilicate ((Li,K)SiO3) glass. The cause for the interception leading to the mixed alkali effect has been studied in terms of the potential sur faces. A site mismatch between the unlike ions with respect to the pot ential energies has been clearly observed, The activation energies of the jumps have been evaluated, The jump path of each kind of alkali io ns has been visualized and the jump motions in such a path have been d escribed from a standpoint of the mixed alkali effect.