A molecular dynamics study of Li-doped borate glasses
The objective of this work is to investigate the effect of alkali content and temperature on the microstructure of lithium borate glasses, xLi₂O · (1 − x)B₂O₃. We have applied the molecular dynamics technique with Ewald summation and periodic boundary conditions to a collection of ca. 256 particl...
Збережено в:
Видавець: | Інститут фізики конденсованих систем НАН України |
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Дата: | 2001 |
Автори: | , , |
Формат: | Стаття |
Мова: | English |
Опубліковано: |
Інститут фізики конденсованих систем НАН України
2001
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Назва видання: | Condensed Matter Physics |
Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/119763 |
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Цитувати: | A molecular dynamics study of Li-doped borate glasses / Ch.-P.E. Varsamis, A. Vegiri, E.I. Kamitsos // Condensed Matter Physics. — 2001. — Т. 4, № 1(25). — С. 119-132. — Бібліогр.: 26 назв. — англ. |
Репозиторії
Digital Library of Periodicals of National Academy of Sciences of UkraineРезюме: | The objective of this work is to investigate the effect of alkali content and
temperature on the microstructure of lithium borate glasses, xLi₂O · (1 −
x)B₂O₃. We have applied the molecular dynamics technique with Ewald
summation and periodic boundary conditions to a collection of ca. 256 particles
confined within a primitive cubic cell and interacting through a BornMayer-Huggins
type of potential augmented with three-body angular terms.
The results of this study have been discussed in relation to experimental
structural data obtained by NMR and infrared spectroscopies. |
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