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Efficient Control and Spontaneous Transitions

Efficient Control and Spontaneous Transitions in Franklin, TN

Current price: $169.99
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Efficient Control and Spontaneous Transitions

Barnes and Noble

Efficient Control and Spontaneous Transitions in Franklin, TN

Current price: $169.99
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Size: Hardcover

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 prools 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 shastic thermodynamics to describe flows of entropy, energy, and information during the reaction. This also provides an optimization criterion for selecting collective variables. Next, prools 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 prools with the spontaneous transition mechanism for magnetization inversion in the same Ising model, finding that designed prools 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 prools and spontaneous transition mechanisms which can be further probed in a wider variety of systems.
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 prools 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 shastic thermodynamics to describe flows of entropy, energy, and information during the reaction. This also provides an optimization criterion for selecting collective variables. Next, prools 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 prools with the spontaneous transition mechanism for magnetization inversion in the same Ising model, finding that designed prools 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 prools and spontaneous transition mechanisms which can be further probed in a wider variety of systems.

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