Properties Calculations of Silica-Based Glasses by Atomistic Simulations Techniques: A Review

摘要: 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 radioactive waste and biomedical applications. In the past, several works have been devoted modeling structural properties such materials, intuitive relationships with experimental macroscopic addressed. However, ability predict as mechanical strength, elastic constants, chemical durability, conductivity, which particular interest since they dictate whether a specific need or application can be met, is becoming an essential tool glass manufactures. this review, results classical atomistic simulations structure, properties, stress−strain diagrams, fracture mechanisms, transport silicate presented.