The structures and properties of yttrium aluminosilicate glasses with low, medium, and high silica contents

Mixed alkaline earth (MgO, CaO) aluminosilicate glass fibers (MCAS) with and without boron are commonly used as reinforcements in plastic composites, and the fundamental understanding of the thermal and mechanical properties is essential to the design of new glass compositions to satisfy the growing demands in applications from renewable energy to lightweight structural components. In this work, a series of Li2O containing low‐boron MCAS fiber glasses have been studied by using molecular dynamic (MD) simulations with recently developed effective partial charge composition dependent boron potentials. Structural characteristics, such as pair distribution function, bond angle distribution, and neutron/X‐ray diffraction structure factors, were calculated, as well as properties such as elastic moduli and vibrational density of states. The addition of Li2O was found to improve the elastic moduli of the fiber glasses in excellent agreement with experimental results we reported earlier. The simulation results showed that the weakened network connectivity and decrease of tri‐/bridging oxygen have positively affected the lowering of liquid temperature, owing to the transformation to more boron Q2 and silicon/aluminon Q3. It is found that higher oxygen packing density, coordinated aluminum/boron species such as [AlO5] and [BO4] units, larger‐membered oxide rings, and intensified connections of [AlOx] and [SiO4] are the main reasons that lead to improved mechanical properties. MD‐based quantitative structure–property relationship analyses were performed and showed excellent correlations to measured properties, indicating that it is a promising approach to understand glass properties and design new glass compositions for functional applications.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

The structures and properties of yttrium aluminosilicate glasses with low, medium, and high silica contents

Cited by 5 publications

References 60 publications

Tailoring fluoride networks to precipitate hexagonal Ln1-yMyF3-y nanocrystals in glass: Towards short-wavelength upconversion PL of lanthanides

Tailoring fluoride networks to precipitate hexagonal Ln1-yMyF3-y nanocrystals in glass: Towards short-wavelength upconversion PL of lanthanides

A critical review of infrared transparent oxide glasses

Effect of Li₂O on the structure and properties of low‐boron aluminosilicate fiber glasses from molecular dynamics simulations and quantitative structure–property relationship analysis

Contact Info

Product

Resources

About

The structures and properties of yttrium aluminosilicate glasses with low, medium, and high silica contents

Cited by 5 publications

References 60 publications

Tailoring fluoride networks to precipitate hexagonal Ln1-yMyF3-y nanocrystals in glass: Towards short-wavelength upconversion PL of lanthanides

Tailoring fluoride networks to precipitate hexagonal Ln1-yMyF3-y nanocrystals in glass: Towards short-wavelength upconversion PL of lanthanides

A critical review of infrared transparent oxide glasses

Effect of Li2O on the structure and properties of low‐boron aluminosilicate fiber glasses from molecular dynamics simulations and quantitative structure–property relationship analysis

Contact Info

Product

Resources

About

Effect of Li₂O on the structure and properties of low‐boron aluminosilicate fiber glasses from molecular dynamics simulations and quantitative structure–property relationship analysis