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Title:Investigating silica from first-principles
Authors:ID Giacomazzi, Luigi, CNR-INFM (Author)
Files: This document has no files that are freely available to the public. This document may have a physical copy in the library of the organization, check the status via COBISS. Link is opened in a new window
Language:English
Work type:Not categorized
Typology:3.25 - Other Performed Works
Organization:UNG - University of Nova Gorica
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.
Keywords:silica, coesite, dislocations, Peierls-Nabarro
Place of performance:University of Lille, Lille (France)
Year of performance:2009
PID:20.500.12556/RUNG-4455-0344cbc4-fa17-82c2-606d-2f06fabfc179 New window
COBISS.SI-ID:5367291 New window
NUK URN:URN:SI:UNG:REP:JY9K9RJ0
Publication date in RUNG:08.04.2019
Views:3209
Downloads:0
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