Bayesian state estimation unlocks real-time control in thin film synthesis

Fuente: arXiv
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Main Authors: Harris, Sumner B., Fajardo, Ruth, Puretzky, Alexander A., Xiao, Kai, Bao, Feng, Vasudevan, Rama K.
Format: Preprint
Published: 2024
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author Harris, Sumner B.
Fajardo, Ruth
Puretzky, Alexander A.
Xiao, Kai
Bao, Feng
Vasudevan, Rama K.
author_facet Harris, Sumner B.
Fajardo, Ruth
Puretzky, Alexander A.
Xiao, Kai
Bao, Feng
Vasudevan, Rama K.
contents The rapid validation of newly predicted materials through autonomous synthesis requires real-time adaptive control methods that exploit physics knowledge, a capability that is lacking in most systems. Here, we demonstrate an approach to enable the real-time control of thin film synthesis by combining in situ optical diagnostics with a Bayesian state estimation method. We developed a physical model for film growth and applied the Direct Filter (DF) method for real-time estimation of nucleation and growth rates during pulsed laser deposition (PLD) of transition metal dichalcogenides. We validated the approach on simulated and previously acquired reflectivity data for WSe$_2$ growth and ultimately deployed the algorithm on an autonomous PLD system during growth of 1T$^\prime$-MoTe$_2$ under various synthesis conditions. We found that the DF robustly estimates growth parameters in real-time at early stages of growth, down to 15% percent monolayer area coverage. This approach opens new opportunities for adaptive film growth control based on a fusion of in situ diagnostics, modern data assimilation methods, and physical models which promises to enable control of synthesis trajectories towards desired material states.
format Preprint
id arxiv_https___arxiv_org_abs_2410_23895
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Bayesian state estimation unlocks real-time control in thin film synthesis
Harris, Sumner B.
Fajardo, Ruth
Puretzky, Alexander A.
Xiao, Kai
Bao, Feng
Vasudevan, Rama K.
Materials Science
The rapid validation of newly predicted materials through autonomous synthesis requires real-time adaptive control methods that exploit physics knowledge, a capability that is lacking in most systems. Here, we demonstrate an approach to enable the real-time control of thin film synthesis by combining in situ optical diagnostics with a Bayesian state estimation method. We developed a physical model for film growth and applied the Direct Filter (DF) method for real-time estimation of nucleation and growth rates during pulsed laser deposition (PLD) of transition metal dichalcogenides. We validated the approach on simulated and previously acquired reflectivity data for WSe$_2$ growth and ultimately deployed the algorithm on an autonomous PLD system during growth of 1T$^\prime$-MoTe$_2$ under various synthesis conditions. We found that the DF robustly estimates growth parameters in real-time at early stages of growth, down to 15% percent monolayer area coverage. This approach opens new opportunities for adaptive film growth control based on a fusion of in situ diagnostics, modern data assimilation methods, and physical models which promises to enable control of synthesis trajectories towards desired material states.
title Bayesian state estimation unlocks real-time control in thin film synthesis
topic Materials Science
url https://arxiv.org/abs/2410.23895