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• W2083101233 abstract "Molecular dynamics simulations are performed to study the lithium jumps in ${mathrm{LiPO}}_{3}$ glass. In particular, we calculate higher-order correlation functions that probe the positions of single lithium ions at several times. Three-time correlation functions show that the nonexponential relaxation of the lithium ions results from both correlated back-and-forth jumps and the existence of dynamical heterogeneities, i.e., the presence of a broad distribution of jump rates. A quantitative analysis yields that the contribution of the dynamical heterogeneities to the nonexponential depopulation of the lithium sites increases upon cooling. Further, correlated back-and-forth jumps between neighboring sites are observed for the fast ions of the distribution, but not for the slow ions and, hence, the back-jump probability depends on the dynamical state. Four-time correlation functions indicate that an exchange between fast and slow ions takes place on the time scale of the jumps themselves; i.e., the dynamical heterogeneities are short lived. Hence, sites featuring fast and slow lithium dynamics, respectively, are intimately mixed. In addition, a backward correlation beyond the first neighbor shell for highly mobile ions and the presence of long-range dynamical heterogeneities suggest that fast ion migration occurs along preferential pathways in the glassy matrix. In the melt, we find no evidence for correlated back-and-forth motions and dynamical heterogeneities on the length scale of the next-neighbor distance." @default.
• W2083101233 created "2016-06-24" @default.
• W2083101233 creator A5001598276 @default.
• W2083101233 date "2003-11-07" @default.
• W2083101233 modified "2023-09-26" @default.
• W2083101233 title "Complex lithium ion dynamics in simulatedLiPO3glass studied by means of multitime correlation functions" @default.
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• W2083101233 doi "https://doi.org/10.1103/physrevb.68.184301" @default.
• W2083101233 hasPublicationYear "2003" @default.
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