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Efficient control and spontaneous transitions

Record Type:	Electronic resources : Monograph/item
Title/Author:	Efficient control and spontaneous transitions/ by Miranda Louwerse.
Author:	Louwerse, Miranda.
Published:	Cham :Springer Nature Switzerland : : 2024.,
Description:	xiii, 113 p. :ill. (some col.), digital ;24 cm.
Notes:	"Doctoral thesis accepted by Simon Fraser University, Burnaby, BC, Canada."
[NT 15003449]:	Chapter 1: Introduction -- Chapter 2: Theoretical Background -- Chapter 3: Information Thermodynamics of Transition Paths -- Chapter 4: Multidimensional Minimum-Work Protocols -- Chapter 5: Connections between Minimum-Work Protocols and Transition Paths -- Chapter 6 Conclusions.
Contained By:	Springer Nature eBook
Subject:	Chemical reactions. -
Online resource:	https://doi.org/10.1007/978-3-031-40534-1
ISBN:	9783031405341

Efficient control and spontaneous transitions
Louwerse, Miranda.

Efficient control and spontaneous transitions[electronic resource] /by Miranda Louwerse. - Cham :Springer Nature Switzerland :2024. - xiii, 113 p. :ill. (some col.), digital ;24 cm. - Springer theses,2190-5061. - Springer theses..

"Doctoral thesis accepted by Simon Fraser University, Burnaby, BC, Canada."

Chapter 1: Introduction -- Chapter 2: Theoretical Background -- Chapter 3: Information Thermodynamics of Transition Paths -- Chapter 4: Multidimensional Minimum-Work Protocols -- Chapter 5: Connections between Minimum-Work Protocols and Transition Paths -- Chapter 6 Conclusions.

This thesis addresses deep questions that cut to the physical and informational essence of central chemical quantities such as transition paths and reaction mechanisms and proposes fundamental new connections between transition-path theory, linear-response theory, nonequilibrium thermodynamics, and information theory. The author investigates slow, energetically efficient driving protocols that drive a system between conformations corresponding to endpoints of a reaction, aiming to find connections between principles of efficient driving and the spontaneous transition mechanism in the absence of driving. First, an alternative perspective of transition-path theory is developed that unifies it with stochastic thermodynamics to describe flows of entropy, energy, and information during the reaction. This also provides an optimization criterion for selecting collective variables. Next, protocols are designed which invert the magnetization of a 3×3 Ising model with minimal energetic cost, and it is determined that using multiple control parameters allows the system to be driven along a fast-relaxing pathway between reaction endpoints. Finally, the author compares these protocols with the spontaneous transition mechanism for magnetization inversion in the same Ising model, finding that designed protocols capture general features of the spontaneous mechanism and energetics given the constraints on the control parameters. This work represents a major step forward in our understanding of rare events and provides a basis for investigating the connection between efficient protocols and spontaneous transition mechanisms which can be further probed in a wider variety of systems.

ISBN: 9783031405341

Standard No.: 10.1007/978-3-031-40534-1doiSubjects--Topical Terms:

519248
Chemical reactions.

LC Class. No.: QD501

Dewey Class. No.: 541.39

Efficient control and spontaneous transitions
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505 0 $a Chapter 1: Introduction -- Chapter 2: Theoretical Background -- Chapter 3: Information Thermodynamics of Transition Paths -- Chapter 4: Multidimensional Minimum-Work Protocols -- Chapter 5: Connections between Minimum-Work Protocols and Transition Paths -- Chapter 6 Conclusions.
520 $a This thesis addresses deep questions that cut to the physical and informational essence of central chemical quantities such as transition paths and reaction mechanisms and proposes fundamental new connections between transition-path theory, linear-response theory, nonequilibrium thermodynamics, and information theory. The author investigates slow, energetically efficient driving protocols that drive a system between conformations corresponding to endpoints of a reaction, aiming to find connections between principles of efficient driving and the spontaneous transition mechanism in the absence of driving. First, an alternative perspective of transition-path theory is developed that unifies it with stochastic thermodynamics to describe flows of entropy, energy, and information during the reaction. This also provides an optimization criterion for selecting collective variables. Next, protocols are designed which invert the magnetization of a 3×3 Ising model with minimal energetic cost, and it is determined that using multiple control parameters allows the system to be driven along a fast-relaxing pathway between reaction endpoints. Finally, the author compares these protocols with the spontaneous transition mechanism for magnetization inversion in the same Ising model, finding that designed protocols capture general features of the spontaneous mechanism and energetics given the constraints on the control parameters. This work represents a major step forward in our understanding of rare events and provides a basis for investigating the connection between efficient protocols and spontaneous transition mechanisms which can be further probed in a wider variety of systems.
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650 2 4 $a Biochemistry. $3 518028
650 2 4 $a Reaction Mechanisms. $3 3591956
650 2 4 $a Coding and Information Theory. $3 891252
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