Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 120, Issue 4-6, Pages 557-564Publisher
SPRINGER
DOI: 10.1007/s00214-008-0434-7
Keywords
-
Categories
Ask authors/readers for more resources
This paper shows recent progresses in the field of computer simulations of inorganic glasses. Molecular dynamics simulations and energy minimization methods have been applied to calculate the elastic and transport properties of alkali silicate glasses of compositions xM(2)O center dot (100 - x)SiO2 (with x = 0, 10, 15, 20, 25, 30 % mol for M = Li, Na and K) and of a soda-lime glass with composition 15Na(2)O center dot 10CaO center dot 75SiO(2), which has been employed to ascertain the effect of the replacement of CaO for Na2O. The excellent agreement of the computed results with the experimental data highlights the important predictive and interpretative role reached by computer simulations techniques.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available