Supplementary Material

The Supplementary Material contains (i) the Ag-Si and Ag-O pair correlation functions at 500K for a Ag+ ion in 384-atom silica glass obtained from NNP and DFT MD; (ii) The pair correlation functions and bond angle distributions of a 6000-atom silica glass at 1200K for the three different quench rates Q1, Q2 and Q3; (iii) The protocol used to detect the jumps in the trajectories; (iv) The evolution of the diffusion quantities and their fits for the Q2 and Q3 quench rates; (v) The correlations between the residence times and the local environment of the Ag+ ion. (vi) The probability for the ion to be outside a growing sphere of radius K^1/2 t^H.

Publication Details

Journal
AIP Publishing
Published
2025-03-11
DOI
https://doi.org/10.60893/figshare.jcp.28431986
Primary Topic
Glass properties and applications
Type
article
Field-Weighted Citation Impact
0.00
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article

Supplementary Material

AIP Publishing
Glass properties and applications
article

Supplementary Material

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Abstract

The Supplementary Material contains (i) the Ag-Si and Ag-O pair correlation functions at 500K for a Ag+ ion in 384-atom silica glass obtained from NNP and DFT MD; (ii) The pair correlation functions and bond angle distributions of a 6000-atom silica glass at 1200K for the three different quench rates Q1, Q2 and Q3; (iii) The protocol used to detect the jumps in the trajectories; (iv) The evolution of the diffusion quantities and their fits for the Q2 and Q3 quench rates; (v) The correlations between the residence times and the local environment of the Ag+ ion. (vi) The probability for the ion to be outside a growing sphere of radius K^1/2 t^H.

AIP Publishing
Openalex Percentile: Top 58%
Glass properties and applications
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Supplementary Material · AIP Publishing (2025) | TGRS Research Map | TGRS