New techniques for modelling glass dissolution

Research output: Contribution to journalArticle

Authors

Institutes & Expert groups

  • CEA-Valrhô-Marcoule - DCC/DRRV/SCD/LEAM

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Abstract

Due to the large increase in computation power, new methods for modelling glass disoolution are becoming available. We give a short description of two classes of such methods. For each method, we first explain where it is based on, then we list existing aplication sin glass dissolution and finally, we discuss what it could provide to glass dissolution modelling. The first class of models consists of molecular modelling. These are methods with a solid mathematical basis, like ab initio calculations, molecular dynamics or Monte Carlo simulations. These methods are complementary, not only to one another but also to existing analytical or geochemical models, which will not become superfluous. Instead, one method can provide input for another method, either by calculating values or by confirming its basic assumptions. The second class of models consists of soft computing techniques like neural networks, fuzzy systems or genetic algorithms. These methods, which can be viewed as complementary to traditional methods, are more empirically based and can be useful for modelling systems that are ill defined or not completely understood yet.

Details

Original languageEnglish
Pages (from-to)37-46
Number of pages10
JournalJournal of Nuclear Materials
Volume298
Issue number1-2
DOIs
Publication statusPublished - 2001
EventGlass in it's disposal environment, Brugge, 11-14 -
Duration: 1 Jan 2001 → …

Keywords

  • molecular modelling, ab initio, molecular dynamics, monte carlo, neural work, fuzzy logic, glass dis

ID: 3397590