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Tutorial : Theoretical Aspects and Ab Initio Simulations (invited)
Raty, Jean-Yves
20162016 MRS spring meeting
Editorial reviewed
 

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Keywords :
Phase change materials
Abstract :
[en] Part II: Jean-Yves Raty Part II focuses on ab initio simulation techniques and describe how these methods can yield realistic models of phase-change materials. Various quantities that can be obtained from such simulations will be reviewed; these include bonding strength and structural, electronic, optical and dynamical quantities. There will be a discussion of how these quantities can shed light on technologically important features of phase-change materials, such as the optical and electronic contrast between the crystalline and amorphous phase, the stability and the ageing mechanisms of the glass, as well as its crystallization properties at high temperature.
Research center :
Physics of Solids, Interfaces and Nanostructures
Disciplines :
Physics
Author, co-author :
Raty, Jean-Yves  ;  Université de Liège > Département de physique > Physique des solides, interfaces et nanostructures
Language :
English
Title :
Tutorial : Theoretical Aspects and Ab Initio Simulations (invited)
Alternative titles :
[en] Phase-Change Materials - from fundamental properties to recent applications
Publication date :
28 March 2016
Event name :
2016 MRS spring meeting
Event organizer :
Materials Research Society
Event place :
Phoenix, United States
Event date :
28-03-2017 to 01-04-2016
By request :
Yes
Audience :
International
Peer reviewed :
Editorial reviewed
References of the abstract :
MRS spring meeting 2016
Tags :
CÉCI : Consortium des Équipements de Calcul Intensif
Tier-1 supercomputer
Funders :
F.R.S.-FNRS - Fonds de la Recherche Scientifique [BE]
DGTRE - Région wallonne. Direction générale des Technologies, de la Recherche et de l'Énergie [BE]
CÉCI - Consortium des Équipements de Calcul Intensif [BE]
Tier-1
ARC
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since 03 February 2017

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