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Erschienen in:
The Atomic-Scale Structure of Network Glass-Forming Materials Kapitel lesen Erstes Kapitel lesen

2015 | OriginalPaper | Buchkapitel

5. Computational Modeling of Silicate Glasses: A Quantitative Structure-Property Relationship Perspective

verfasst von : Alfonso Pedone, Maria Cristina Menziani

Erschienen in: Molecular Dynamics Simulations of Disordered Materials

Verlag: Springer International Publishing

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Abstract

This article reviews the present state of Quantitative Structure-Property Relationships (QSPR) in glass design and gives an outlook into future developments. First an overview is given of the statistical methodology, with particular emphasis to the integration of QSPR with molecular dynamics simulations to derive informative structural descriptors. Then, the potentiality of this approach as a tool for interpretative and predictive purposes is highlighted by a number of recent inspiring applications.

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Vorheriges Kapitel Challenges in Modeling Mixed Ionic-Covalent Glass Formers
Nächstes Kapitel Recrystallization of Silicon by Classical Molecular Dynamics
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Metadaten
Titel
Computational Modeling of Silicate Glasses: A Quantitative Structure-Property Relationship Perspective
verfasst von
Alfonso Pedone
Maria Cristina Menziani
Copyright-Jahr
2015
Buch
Molecular Dynamics Simulations of Disordered Materials

Print ISBN: 978-3-319-15674-3

Electronic ISBN: 978-3-319-15675-0

Copyright-Jahr: 2015

DOI
https://doi.org/10.1007/978-3-319-15675-0_5

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