Investigating silica from first-principles

lecture at Unité Matériaux et Transformations CNRS UMR, Université de Lille, 23. 1. 2009

Povzetek

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.

Ključne besede

silica;coesite;dislocations;Peierls-Nabarro;

Podatki

Jezik:	Angleški jezik
Leto izida:	2009
Tipologija:	3.14 - Predavanje na tuji univerzi
Organizacija:	UNG - Univerza v Novi Gorici
UDK:	54
COBISS:	5367291
Št. ogledov:	2318
Št. prenosov:	0
Ocena:	0 (0 glasov)
Metapodatki:

Ostali podatki

URN:	URN:SI:UNG
Vrsta dela (COBISS):	Delo ni kategorizirano
ID:	11106467