A DFT-Based Aspherical Ion Model for Sodium Aluminosilicate Glasses and Melts

2016 ◽  
Vol 120 (42) ◽  
pp. 24370-24381 ◽  
Author(s):  
Yoshiki Ishii ◽  
Mathieu Salanne ◽  
Thibault Charpentier ◽  
Koichi Shiraki ◽  
Kohei Kasahara ◽  
...  
2013 ◽  
Vol 369 ◽  
pp. 61-68 ◽  
Author(s):  
Jonas Kjeldsen ◽  
Morten M. Smedskjaer ◽  
John C. Mauro ◽  
Randall E. Youngman ◽  
Liping Huang ◽  
...  

MRS Advances ◽  
2016 ◽  
Vol 2 (10) ◽  
pp. 549-555 ◽  
Author(s):  
José Marcial ◽  
Mostafa Ahmadzadeh ◽  
John S. McCloy

ABSTRACTCrystallization of aluminosilicates during the conversion of Hanford high-level waste (HLW) to glass is a function of the composition of the glass-forming melt. In high-sodium, high-aluminum waste streams, the crystallization of nepheline (NaAlSiO4) removes chemically durable glass-formers from the melt, leaving behind a residual melt that is enriched in less durable components, such as sodium and boron. We seek to further understand the effect of lithium, boron, and iron addition on the crystallization of model silicate glasses as analogues for the complex waste glass. Boron and iron behave as glass intermediates which allow for crystallization when present in low additions but frustrate crystallization in high additions. In this work, we seek to compare the average structures of quenched and heat treated glasses through Raman spectroscopy, X-ray diffraction, vibrating sample magnetometry, and X-ray pair distribution function analysis. The endmembers of this study are feldspathoid-like (LiAlSiO4, NaAlSiO4, NaBSiO4, and NaFeSiO4), pyroxene-like (LiAlSi2O6, NaAlSi2O6, NaBSi2O6, and NaFeSi2O6), and feldspar-like (LiAlSi3O8, NaAlSi3O8, NaBSi3O8, and NaFeSi3O8). Such a comparison will provide further insight on the complex relationship between the average chemical ordering and topology of glass on crystallization.


2013 ◽  
Vol 97 (4) ◽  
pp. 1110-1114 ◽  
Author(s):  
Longji Li ◽  
Yong Yang ◽  
Dacheng Zhou ◽  
Zhengwen Yang ◽  
Xuhui Xu ◽  
...  

2012 ◽  
Vol 34 (7) ◽  
pp. 1067-1071 ◽  
Author(s):  
U. Caldiño ◽  
A. Speghini ◽  
S. Berneschi ◽  
M. Bettinelli ◽  
M. Brenci ◽  
...  

2012 ◽  
Vol 358 (23) ◽  
pp. 3193-3199 ◽  
Author(s):  
Karsten H. Nielsen ◽  
Morten M. Smedskjaer ◽  
Mingyeng Peng ◽  
Yuanzheng Yue ◽  
Lothar Wondraczek

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