Molecular dynamics simulation of a nuclear waste glass matrix

✍ Scribed by J.M. Delaye; D. Ghaleb

• Publisher: Elsevier Science
• Year: 1996
• Tongue: English
• Weight: 530 KB
• Volume: 37
• Category: Article
• ISSN: 0921-5107
• DOI: 10.1016/0921-5107(95)01495-0

✦ Synopsis

Complex 5-and 6-oxide glass compositions were simulated using the major components of nuclear containment glasses in the same proportions. The local environmental structures obtained by molecular dynamics using Born-Mayer-Huggins potentials and three-body potentials showed overall agreement with experimental results and the simulated results were on the same order of magnitude with experimental values for the densities, thermal expansion coefficients and viscosities.