Origin of dynamical heterogeneities in calcium aluminosilicate liquids.
We investigate the heterogeneous dynamics of calcium aluminosilicate liquids across both the peraluminous and peralkaline regimes. Using the isoconfigurational ensemble method we find a clear correlation between dynamical heterogeneities and concentration fluctuations. Regions of high dynamic propensity have higher concentrations of both calcium and aluminum, whereas low propensity regions are silica rich. The isoconfigurational ensemble is found to be a powerful tool for studying the origin of heterogeneous dynamics of industrially relevant glass-forming liquids.
Vargheese
K Deenamma
KD
Science and Technology Division, Corning Incorporated, SP-TD-01-01, Corning, New York 14831, USA.
Tandia
Adama
A
Mauro
John C
JC
D000538:Aluminum Silicates / Q000737:chemistry*; D017610:Calcium Compounds / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D010087:Oxides / Q000737:chemistry*; D010316:Particle Size
D000538:Aluminum Silicates; D017610:Calcium Compounds; D010087:Oxides; C016538:lime