Stochastic dynamics simulation of the focused electron beam induced deposition process

Abstract

This work presents a novel and general multiscale computational methodology for modeling the focused electron beam–induced deposition (FEBID) process. The approach is based on stochastic dynamics implemented using the MBN Explorer and MBN Studio software packages and provides a probabilistic description of the complex sequence of physical and chemical processes that govern FEBID, including precursor adsorption, diffusion, dissociation, and desorption. The developed framework enables simulations under experimentally realistic spatial and temporal conditions while retaining molecular-level resolution. An exemplary set of model parameters has been derived from atomistic simulations to demonstrate the methodology’s capabilities; however, the primary goal of this work is not parameter optimization, but rather the establishment of a general and transferable modeling framework applicable to a broad range of precursors, substrates, and irradiation conditions. As a representative case, the FEBID of W(CO) 6 precursors on a hydroxylated SiO 2 –H substrate is investigated, showing how the method reproduces key experimental trends and reveals the microscopic mechanisms of deposit formation. The developed multiscale approach provides a robust foundation for predictive simulations of irradiation-driven fabrication processes and their applications in 3D nanoprinting and nanoscale materials engineering.

The authors' abstract, as published at the source. Frontiers in Physics, 2026 · DOI ↗