| Title: | Investigating silica from first-principles |
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| Authors: | ID Giacomazzi, Luigi, CNR-INFM (Author) |
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| Files: |
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| Language: | English |
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| Work type: | Not categorized |
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| Typology: | 3.25 - Other Performed Works |
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| Organization: | UNG - University of Nova Gorica
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| Abstract: | Silica (SiO2 ) is a prototypical binary compound showing a complex
phase diagram. It is the most abundant mineral in the Earth’s crust,
and it has many important technological applications. From a
theoretical point of view, SiO2 is a benchmark requiring both accurate
atomistic models and a multi-scale approach. As an example of the
capabilities of state- of-the-art theoretical modeling, we discuss the
vibrational spectra of vitreous SiO2 with particular attention to the
information that these spectra can provide on the medium-range
structure of the oxide network. Then, as an example of multi-scale
approach we present our work on dislocations in coesite within the
framework of the Peierls-Nabarro model. |
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| Keywords: | silica, coesite, dislocations, Peierls-Nabarro |
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| Place of performance: | University of Lille, Lille (France) |
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| Year of performance: | 2009 |
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| PID: | 20.500.12556/RUNG-4455-0344cbc4-fa17-82c2-606d-2f06fabfc179 |
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| COBISS.SI-ID: | 5367291 |
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| NUK URN: | URN:SI:UNG:REP:JY9K9RJ0 |
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| Publication date in RUNG: | 08.04.2019 |
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| Views: | 3709 |
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| Downloads: | 0 |
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| Metadata: |    |
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