Molecular dynamics simulation of La2O3-SiO2 glass

Byeongwon Park; Rene Corrales

doi:10.1117/12.424766

27 April 2001 Molecular dynamics simulation of La₂O₃-SiO₂glass

Byeongwon Park, Rene Corrales

Proceedings Volume 4282, Rare-Earth-Doped Materials and Devices V; (2001) https://doi.org/10.1117/12.424766
Event: Symposium on Integrated Optics, 2001, San Jose, CA, United States

Abstract

Based on chemical, physical, and economical reasons oxide glasses are and will be the materials of choice for advanced optical and electronic applications. Engineered rare earth materials are envisioned to have unique optical and electronic properties. Depending on the application, higher or lower rare earth solubility in glass may be required. Many issues arise including how the presence of lanthanide oxides in silicates leads to heterogenous phenomena such as nanoclustering, precipitation, crystal nucleation or phase separation. True solubility of rare earth elements in binary glass systems without cluster formation is very limited, whereas, higher solubility can be achieved in multi- component glass systems. In this work, the local environment of La in silicate glasses has been investigated using molecule dynamics computer simulation. Structural features that have been determined include simulated neutron diffraction and EXAFS patterns. Analysis to better understand the underlying driving forces of clustering is also presented.

Citation Download Citation

Byeongwon Park and Rene Corrales "Molecular dynamics simulation of La₂O₃-SiO₂glass", Proc. SPIE 4282, Rare-Earth-Doped Materials and Devices V, (27 April 2001); https://doi.org/10.1117/12.424766

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