TY - JOUR
T1 - Hardness of silicate glasses
T2 - Atomic-scale origin of the mixed modifier effect
AU - Yu, Yingtian
AU - Wang, Mengyi
AU - Anoop Krishnan, N. M.
AU - Smedskjaer, Morten M.
AU - Deenamma Vargheese, K.
AU - Mauro, John C.
AU - Balonis, Magdalena
AU - Bauchy, Mathieu
N1 - Funding Information:
We are grateful for valuable discussions with Jian Luo, Sushmit Goyal, and Adama Tandia of Corning Inc. This work was supported by the National Science Foundation under Grant No. 1562066 and by Corning Incorporated. M.M.S. acknowledges funding from VILLUM FONDEN under research grant no. 13253 .
Publisher Copyright:
© 2018 Elsevier B.V.
PY - 2018/6/1
Y1 - 2018/6/1
N2 - The origin of the various manifestations of the mixed modifier effect in silicate glasses remains poorly understood. Here, based on molecular dynamics simulations, we investigate the origin of a negative deviation from linearity in the hardness of a series of mixed alkaline earth aluminosilicate glasses. The minimum of hardness is shown to arise from a maximum propensity for shear flow deformations in mixed compositions. We demonstrate that this anomalous behavior originates from the existence of local structural instabilities in mixed compositions arising from a mismatch between the modifiers and the rest of the silicate network. Overall, we suggest that the mixed modifier effect manifests itself as a competition between the thermodynamic driving force for structural relaxation and the kinetics thereof.
AB - The origin of the various manifestations of the mixed modifier effect in silicate glasses remains poorly understood. Here, based on molecular dynamics simulations, we investigate the origin of a negative deviation from linearity in the hardness of a series of mixed alkaline earth aluminosilicate glasses. The minimum of hardness is shown to arise from a maximum propensity for shear flow deformations in mixed compositions. We demonstrate that this anomalous behavior originates from the existence of local structural instabilities in mixed compositions arising from a mismatch between the modifiers and the rest of the silicate network. Overall, we suggest that the mixed modifier effect manifests itself as a competition between the thermodynamic driving force for structural relaxation and the kinetics thereof.
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U2 - 10.1016/j.jnoncrysol.2018.03.015
DO - 10.1016/j.jnoncrysol.2018.03.015
M3 - Article
AN - SCOPUS:85045796071
SN - 0022-3093
VL - 489
SP - 16
EP - 21
JO - Journal of Non-Crystalline Solids
JF - Journal of Non-Crystalline Solids
ER -