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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.  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  COBISS.SI-ID: 5367291  NUK URN: URN:SI:UNG:REP:JY9K9RJ0 Publication date in RUNG: 08.04.2019 Views: 4021 Downloads: 0 Metadata:    Cite this work Plain text BibTeX EndNote XML EndNote/Refer RIS ABNT ACM Ref AMA APA Chicago 17th Author-Date Harvard IEEE ISO 690 MLA Vancouver : GIACOMAZZI, Luigi, no date, Investigating silica from first-principles. [online]. [Accessed 7 April 2025]. Retrieved from: https://repozitorij.ung.si/IzpisGradiva.php?lang=eng&id=4455 Copy citation

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