An improved simulation methodology for nanoparticle injection through aerodynamic lens systems

Abstract

Aerosol injectors applied in single-particle diffractive imaging experiments demonstrated their potential in efficiently delivering nanoparticles with high density. Continuous optimization of injector design is crucial for achieving high-density particle streams, minimizing background gas, enhancing x-ray interactions, and generating high-quality diffraction patterns. We present an updated simulation framework designed for the fast and effective exploration of the experimental parameter space to enhance the optimization process. The framework includes both the simulation of the carrier gas and the particle trajectories within injectors and their expansion into the experimental vacuum chamber. A hybrid molecular-continuum-simulation method [direct simulation Monte Carlo (DSMC)/computational fluid dynamics (CFD)] is utilized to accurately capture the multi-scale nature of the flow. The simulation setup, initial benchmark results of the coupled approach, and the validation of the entire methodology against experimental data are presented. The results of the enhanced methodology show a significant improvement in the prediction quality compared to previous approaches.