The spatiotemporal distribution characteristics of gas molecules emitted from nanopores studied with direct simulation Monte Carlo method

Yanfei Liu; Jie Zhu; Jianfei Wang; Yang Dang; Yong Niu; Kaige Wang

doi:10.1117/12.3030469

3 June 2024 The spatiotemporal distribution characteristics of gas molecules emitted from nanopores studied with direct simulation Monte Carlo method

Yanfei Liu, Jie Zhu, Jianfei Wang, Yang Dang, Yong Niu, Kaige Wang

Author Affiliations +

Proceedings Volume 13182, 2024 International Conference on Optoelectronic Information and Optical Engineering (OIOE 2024); 131822I (2024) https://doi.org/10.1117/12.3030469
Event: 2024 International Conference on Optoelectronic Information and Optical Engineering (OIOE 2024), 2024, Kunming, China

Abstract

A deep understanding of the spatiotemporal distribution characteristics of material molecules, emitted from nanopores, near the top surface of nanoporous thin films has practical application value for the preparing biomedical optical sensing films and nano-photonic sensors, delivering and screening of drug molecules, and so on. In this study, the direct simulation Monte Carlo method as employed to investigate the velocity and amount distribution pattern of particles emitted from a nanopore (multi-nanopores) with 80 nm diameter and 1 μm depth at various initial temperatures (T=300 K, 400 K, and 500 K) near the top surface of a nanoporous structure film. Especially, the variation of particle number, temperature, and pressure over time in the regions of 500 nm and 1000 nm were analyzed, as well as the variation of temperature and pressure along the nanopore axis with the variation of Knudsen number. Additionally, the impact of more pores on particle number and temperature distribution over space and time was analyzed. The simulation results show a symmetric distribution of particle numbers, with lower temperatures in the axial region compared to the initial temperature, significant temperature changes on both sides, and a continuous decrease in pressure. The along-travel temperature reaches its maximum value at a distance of 4 μm from the center of the nanopore, with a subsequent decrease in temperature as the Knudsen number increases. These research results have new inspirations for gas sensing and enhancing optical sensing with nanoporous thin films, as well as designing functional optic material with micro-/nano- structures.

(2024) Published by SPIE. Downloading of the abstract is permitted for personal use only.

Citation Download Citation

Yanfei Liu, Jie Zhu, Jianfei Wang, Yang Dang, Yong Niu, and Kaige Wang "The spatiotemporal distribution characteristics of gas molecules emitted from nanopores studied with direct simulation Monte Carlo method", Proc. SPIE 13182, 2024 International Conference on Optoelectronic Information and Optical Engineering (OIOE 2024), 131822I (3 June 2024); https://doi.org/10.1117/12.3030469

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KEYWORDS

Nanopores

Particles

Monte Carlo methods

Molecules

Temperature metrology

Computer simulations

Temperature distribution

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