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Concept for the Real-Time Monitoring of Molecular Configurations during Manipulation with a Scanning Probe Microscope

Scheidt, Joshua ; Diener, Alexander ; Maiworm, Michael ; Müller, Klaus-Robert ; Findeisen, Rolf ; Driessens, Kurt ; Tautz, F. Stefan ; Wagner, Christian (2023)
Concept for the Real-Time Monitoring of Molecular Configurations during Manipulation with a Scanning Probe Microscope.
In: Journal of Physical Chemistry C, 127 (28)
doi: 10.1021/acs.jpcc.3c02072
Article, Bibliographie

Abstract

A bold vision in nanofabrication is the assembly of functional molecular structures using a scanning probe microscope (SPM). This approach requires continuous monitoring of the molecular configuration during manipulation. Until now, this has been impossible because the SPM tip cannot simultaneously act as an actuator and an imaging probe. Here, we implement configuration monitoring using experimental data other than images collected during the manipulation process. We model the manipulation as a partially observable Markov decision process (POMDP) and approximate the actual configuration in real time using a particle filter. To achieve this, the models underlying the POMDP are precomputed and organized in the form of a finite-state automaton, allowing the use of complex atomistic simulations. We exemplify the configuration monitoring process and reveal structural motifs behind measured force gradients. The proposed methodology marks an important step toward the piece-by-piece creation of supramolecular structures in a robotic and possibly automated manner.

Item Type: Article
Erschienen: 2023
Creators: Scheidt, Joshua ; Diener, Alexander ; Maiworm, Michael ; Müller, Klaus-Robert ; Findeisen, Rolf ; Driessens, Kurt ; Tautz, F. Stefan ; Wagner, Christian
Type of entry: Bibliographie
Title: Concept for the Real-Time Monitoring of Molecular Configurations during Manipulation with a Scanning Probe Microscope
Language: English
Date: 20 July 2023
Publisher: ACS Publications
Journal or Publication Title: Journal of Physical Chemistry C
Volume of the journal: 127
Issue Number: 28
DOI: 10.1021/acs.jpcc.3c02072
Abstract:

A bold vision in nanofabrication is the assembly of functional molecular structures using a scanning probe microscope (SPM). This approach requires continuous monitoring of the molecular configuration during manipulation. Until now, this has been impossible because the SPM tip cannot simultaneously act as an actuator and an imaging probe. Here, we implement configuration monitoring using experimental data other than images collected during the manipulation process. We model the manipulation as a partially observable Markov decision process (POMDP) and approximate the actual configuration in real time using a particle filter. To achieve this, the models underlying the POMDP are precomputed and organized in the form of a finite-state automaton, allowing the use of complex atomistic simulations. We exemplify the configuration monitoring process and reveal structural motifs behind measured force gradients. The proposed methodology marks an important step toward the piece-by-piece creation of supramolecular structures in a robotic and possibly automated manner.

Divisions: 18 Department of Electrical Engineering and Information Technology
18 Department of Electrical Engineering and Information Technology > Institut für Automatisierungstechnik und Mechatronik
18 Department of Electrical Engineering and Information Technology > Institut für Automatisierungstechnik und Mechatronik > Control and Cyber-Physical Systems (CCPS)
Date Deposited: 17 Jul 2023 10:20
Last Modified: 22 Jul 2024 13:29
PPN: 509755054
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