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020 _a9783031405341
_9978-3-031-40534-1
024 7 _a10.1007/978-3-031-40534-1
_2doi
050 4 _aQC310.15-319
072 7 _aPHH
_2bicssc
072 7 _aSCI065000
_2bisacsh
072 7 _aPHH
_2thema
100 1 _aLouwerse, Miranda.
_eauthor.
_4aut
_4http://id.loc.gov/vocabulary/relators/aut
_966770
245 1 0 _aEfficient Control and Spontaneous Transitions
_h[electronic resource] /
_cby Miranda Louwerse.
250 _a1st ed. 2024.
264 1 _aCham :
_bSpringer Nature Switzerland :
_bImprint: Springer,
_c2024.
300 _aXIII, 113 p. 23 illus., 21 illus. in color.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5061
505 0 _aChapter 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 _aThis 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.
650 0 _aThermodynamics.
_966400
650 0 _aBiophysics.
_966239
650 0 _aBiomolecules.
_966771
650 0 _aBiochemistry.
_965465
650 0 _aReaction mechanisms (Chemistry).
_966772
650 0 _aCoding theory.
_965513
650 0 _aInformation theory.
_957783
650 0 _aCondensed matter.
_966773
650 1 4 _aThermodynamics.
_966400
650 2 4 _aMolecular Biophysics.
_966774
650 2 4 _aBiochemistry.
_965465
650 2 4 _aReaction Mechanisms.
_966775
650 2 4 _aCoding and Information Theory.
_965515
650 2 4 _aPhase Transitions and Multiphase Systems.
_966776
710 2 _aSpringerLink (Online service)
773 0 _tSpringer Nature eBook
776 0 8 _iPrinted edition:
_z9783031405334
776 0 8 _iPrinted edition:
_z9783031405358
776 0 8 _iPrinted edition:
_z9783031405365
830 0 _aSpringer Theses, Recognizing Outstanding Ph.D. Research,
_x2190-5061
_966370
856 4 0 _uhttps://doi.org/10.1007/978-3-031-40534-1
912 _aZDB-2-CMS
912 _aZDB-2-SXC
999 _c56450
_d56450