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Molecular dynamics simulation of an anomaly in the temperature widths of the glass transition for low modifi er alkali borate glasses

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It has previously been found that, for low alkali contents in borate glass systems, JM2O.B2O3, there is an anomalous variation with J of the temperature width of the glass transition, as determined experimentally by diff erential scanning calorimetry. We have used molecular dynamics to simulate the glass transition in lithium, sodium and caesium borates, and we have obtained temperature widths of the glass transition that are in good agreement with the experimental trends. In the experimental and simulation results, there is a large increase in the temperature width for the lithium borate system around J=0ยท05, which does not occur for the corresponding caesium system. The sodium system showed an intermediate result. Possible physical reasons for the phenomena are discussed, and it appears that the majority of the eff ect is based on the size of the alkali ion.
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Document Type: Research Article

Publication date: February 1, 2019

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