Properties Calculations Of Silica-Based Glasses By Atomistic Simulation Techniques: A Review

Silica-based glasses are of great importance in various technological fields ranging from fiber optic wave guides, laser optics for initiating fusion reactions, to containers for radioactive waste & biomedical applications. Several works have been devoted to the modeling of structural properties of such materials, & intuitive relationships with experimental macroscopic properties have been addressed. However, the ability to predict properties such as mechanical strength, elastic constants, chemical durability etc, which are of particular interest since they dictate whether a specific need or application can be met, is becoming an essential tool for glass makers. This review presents the results of classical atomistic simulations of the structure, elastic properties, stress-strain diagrams, fracture mechanisms, & transport properties of silicate glasses.

Author
A Pedone
Origin
Scuola Normale Supierore, Italy
Journal Title
J Phys Chem C 113 49 2009 20773-20784 - Doi: 10.1021/Jp9071263
Sector
Special Glass
Class
S 3543

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Properties Calculations Of Silica-Based Glasses By Atomistic Simulation Techniques: A Review
J Phys Chem C 113 49 2009 20773-20784 - Doi: 10.1021/Jp9071263
S 3543
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