Molecular dynamics and FDTD method synergistic modulation for surface emission in luminescent glass by metal nanoparticles.

Luminescent glass is widely used in industries such as lasers and communications. Metal nanoparticles have a significant effect on the emission properties of luminescent glass, but quantitative control of this effect remains challenging due to the difficulty in large-scale glass process optimization. This paper proposes a method that combines large-scale molecular dynamics (MD) and finite-difference time-domain (FDTD) algorithms to effectively analyze the aggregation of nanoparticles in glass. MD can accurately simulate atomic interactions and nanoparticle distribution, while FDTD is very suitable for simulating optical responses. The atomic-level precision of MD combined with the electromagnetic field analysis of FDTD can effectively analyze the aggregation of nanoparticles in glass, and obtain the emission response through FDTD, thereby realizing the regulation of the performance of luminescent glass. Taking bismuth-doped silica glass as an example, this study used a synergistic method to observe that the emission intensity at 1300nm increased by 60%, and the emission peak red-shifted by 40nm. This method has a wide range of applications and can be easily extended to other luminescent systems.