Subject-specific modeling framework for particle deposition using computational fluid dynamics

Quantifying particle deposition and dose in the respiratory tract requires a physiologically realistic representation and reproducible computational workflows. However, existing modeling frameworks, such as the International Commission on Radiological Protection (ICRP) compartmental models and the Multiple Path Particle Dosimetry (MPPD) tool, lack detailed deposition profiles and subject-specific capabilities. The combination of advances in computer vision algorithms applied to the respiratory tract and Computational Fluid and Particle Dynamics (CFPD) allows high-fidelity simulations of particle behavior in anatomically accurate geometries derived from individual CT scans. The segmentation, preprocessing, and file preparation task for a CFPD simulation was often time-consuming, and no prior studies to-date have yet presented a fully automated framework. This work presents a fully automated workflow to obtain individualized particle deposition profiles in the human respiratory tract. The pipeline starts with segmenting upper and lower airway geometries using morphological and deep learning-based methods, generating three-dimensional (3D) models from CT imaging data. Next, a series of algorithms are presented to quality check and prepare the 3D geometry for a CFD or CFPD simulation. The preprocessing step includes correcting geometric artifacts, enforcing a physically consistent mesh, and automatically identifying and capping multiple outlets, which is required for CFD/CFPD simulations. These processed models are then input into open-source (OpenFOAM) or commercial (StarCCM+) CFD solvers, where flow and transient particle transport equations — including turbulence and particle–wall interactions are solved under realistic breathing conditions. Finally, the resulting particle deposition profiles can be integrated with Monte Carlo radiation transport codes and state-of-the-art computational phantoms to assess organ-specific absorbed doses in scenarios of radioactive aero. Authors: Bartol, Ignacio R. [Georgia Institute of Technology, Atlanta, GA (United States)] (ORCID:0000000266850134); Palomba, Martin S. Graffigna [Georgia Institute of Technology, Atlanta, GA (United States)] (ORCID:0000000299120795); Dawson, Robert J. [Univ. of Florida, Gainesville, FL (United States)] (ORCID:0000000209844088); Bolch, Wesley E. [Univ. of Florida, Gainesville, FL (United States)] (ORCID:0000000271759968); Tano Retamales, Mauricio Eduardo [Idaho National Laboratory (INL), Idaho Falls, ID (United States)] (ORCID:0000000334173869). DOE Contract: AC07-05ID14517. Subjects: AI; Aerosol; Airways; Computational Fluid Dynamics; Transport