Multiscale simulation of the focused electron beam induced deposition process

Area of Science:

• Materials Science and Engineering
• Nanotechnology
• Computational Physics

Background:

• Focused electron beam induced deposition (FEBID) enables 3D nanodevice fabrication but lacks molecular-level understanding for sub-10 nm resolution control.
• Irradiation-driven chemistry (IDC) is critical for FEBID but is poorly understood at the atomic scale.
• Computational modeling offers a pathway to elucidate and enhance FEBID processes.

Purpose of the Study:

• To develop and validate a novel multiscale computational methodology for simulating FEBID.
• To provide atomistic insights into the irradiation-driven chemistry governing FEBID.
• To improve the control over size, morphology, and composition in nanoscale 3D-printing.

Main Methods:

• Coupling of Monte Carlo simulations for electron transport with irradiation-driven molecular dynamics.
• Atomistic resolution simulation of IDC during FEBID.
• Analysis of [Formula: see text] deposition on [Formula: see text] with subsequent electron irradiation.

Main Results:

• The multiscale methodology successfully models the FEBID process with unprecedented accuracy.
• Simulated results show excellent agreement with experimental data for nanomaterial composition, microstructure, and growth rates.
• The approach provides a comprehensive description of FEBID's intrinsic operation based on primary beam parameters.

Conclusions:

• The developed computational tool offers a powerful means to study and optimize FEBID.
• This methodology is broadly applicable to diverse problems involving IDC and multiscale phenomena.
• Enhanced understanding of IDC through simulation will drive advancements in nanoscale fabrication.