Interplay between non-bridging oxygen, triclusters, and fivefold Al coordination in low silica content calcium aluminosilicate melts

N. Jakse (1) , M. Bouhadja (1) , J. Kozaily (2, 3) , J. Drewitt (2) , L. Hennet (2) , D. Neuville (4) , H. Fischer , V. Cristiglio (5) , Alain Pasturel (1)

1 SIMaP - Science et Ingénierie des Matériaux et Procédés
2 CEMHTI - Conditions Extrêmes et Matériaux : Haute Température et Irradiation
3 ILL - Institut Laue-Langevin
4 IPGP - Institut de Physique du Globe de Paris
5 Institut Laue Langevin, 6 rue Jules Horowitz, BP48 Grenoble cedex 9, France

Striking role of non-bridging oxygen on glass transition temperature of calcium aluminosilicate glass-formers Structural, vibrational, and elastic properties of a calcium aluminosilicate glass from molecular dynamics simulations: The role of the potential Structure and diffusion in amorphous aluminum silicate: A molecular dynamics computer simulation

Domains: Sciences of the Universe [physics]; Chemical Sciences; Material chemistry

N. Jakse, M. Bouhadja, J. Kozaily, J. Drewitt, L. Hennet, et al.. Interplay between non-bridging oxygen, triclusters, and fivefold Al coordination in low silica content calcium aluminosilicate melts. Applied Physics Letters, 2012, 101 (20), ⟨10.1063/1.4766920⟩. ⟨insu-01906152⟩