Building fenestration represents the most thermally vulnerable component of the building envelope, presenting both a significant challenge and a prime opportunity for advancing global energy efficiency. Silica aerogels, with their unique nanoporous architecture, offer a compelling pathway toward next-generation glazing solutions, promising the concurrent attainment of exceptional thermal insulation and high optical transparency. This presentation will introduce a hierarchical, physics-based computational paradigm developed by our group to navigate this complex design space.
This framework bridges multiple scales, from the nanoscale physics of light-matter interaction to the system-level performance of buildings. It begins with the ab initio generation of realistic 3D aerogel microstructures (both particulate and fibrous) using algorithms like Diffusion-Limited Cluster Aggregation (DLCA). It then computes the intrinsic radiative properties of these complex nanostructures and embedded functional nanoparticles (e.g., SiO₂, VO₂, Ag-SiO₂) by solving Maxwell's equations via the R²T² method which combines the superposition T-matrix and the Monte Carlo (MC) method. Finally, these properties inform large-scale radiative transport simulations by solving RTE, yielding macroscopic optical performance metrics (transmittance, haze) that are integrated into whole-building energy models (TRNSYS) to predict system-level performance.
Leveraging this computational engine, we will narrate a journey of materials discovery and design. We first address the long-standing dichotomy between optical clarity and privacy by demonstrating two distinct microstructural engineering strategies—intrinsic skeletal tuning and extrinsic scattering center doping—to precisely control light diffusion and achieve high-transmittance, high-haze privacy glazing. The talk then progresses to advanced functionalization, where our predictive modeling guides the incorporation of thermochromic (VO₂) and plasmonic (Ag-SiO₂) nanoparticles, thereby orchestrating dynamic solar-thermal regulation and vivid structural coloration. Finally, we confront the critical challenge of real-world durability by computationally quantifying the impact of environmental factors, such as moisture ingress, on the coupled hygro-thermo-optical performance, providing essential insights for material longevity.
Ultimately, this work showcases a powerful, computation-driven design paradigm that transforms materials engineering from a trial-and-error process into a predictive science. The principles and methodologies presented offer a robust and versatile roadmap for the future development of high-performance, multifunctional nanoporous materials for energy, catalysis, and beyond.

Silica Aerogel,Multi-Scale Modeling,Radiation transfer,Energy-Saving Windows