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The cationic energy landscape in alkali silicate glasses: Properties and relevance
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Image of FIG. 1.
FIG. 1.

Contributions and for each site in system LS-2.

Image of FIG. 2.
FIG. 2.

Correlation among the energies of neighboring sites in system LS-2.

Image of FIG. 3.
FIG. 3.

Growth of the standard deviation of energies for a site with sampling time. The behavior of is similar to that for .

Image of FIG. 4.
FIG. 4.

Development of the energy of an ion directly after the jump into a site at . Three sets of residences with different durations are distinguished, designated short, medium, and long. Behavior at the end of a residence before the jump is equivalent.

Image of FIG. 5.
FIG. 5.

Mean relative occupation of the sites in LS-2 plotted against . The solid line is a Fermi–Dirac function with , the open symbols were generated from a Monte Carlo model that recreates the MD system (see text).

Image of FIG. 6.
FIG. 6.

Mean residence times plotted against the site energies and .

Image of FIG. 7.
FIG. 7.

Comparison of the probability for the ion population of site in a simple vacancy model (see text) with its Fermi estimate. In one case (circles) the ion-ion interaction does not depend on the position of the vacancy, in the other case (squares) a weak dependence has been taken into account (see text for details).


Generic image for table
Table I.

Gaussian fits for the distribution of site energies .


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The cationic energy landscape in alkali silicate glasses: Properties and relevance