Violation of local detailed balance upon lumping despite a clear timescale separation
Integrating out fast degrees of freedom is known to yield, to a good approximation, memory-less, i.e., Markovian, dynamics. In the presence of such a timescale separation local detailed balance is believed to inherently emerge and to guarantee thermodynamic consistency arbitrarily far from equilibri...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2023-08-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.5.L032017 |
| _version_ | 1797210480739090432 |
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| author | David Hartich Aljaž Godec |
| author_facet | David Hartich Aljaž Godec |
| author_sort | David Hartich |
| collection | DOAJ |
| description | Integrating out fast degrees of freedom is known to yield, to a good approximation, memory-less, i.e., Markovian, dynamics. In the presence of such a timescale separation local detailed balance is believed to inherently emerge and to guarantee thermodynamic consistency arbitrarily far from equilibrium. Here we present a transparent example of a Markov model of a molecular motor where lumping leads to a violation of local detailed balance despite a clear timescale separation and hence Markovian dynamics. Driving the system far from equilibrium can lead to a violation of local detailed balance against the driving force. We further show that local detailed balance can be restored, even in the presence of memory, if the coarse-graining is carried out as Milestoning. Our work establishes Milestoning not only as a kinetically but as far as we know for the first time also as a thermodynamically consistent coarse-graining method. Our results are relevant as soon as individual transition paths are appreciable or can be resolved. |
| first_indexed | 2024-04-24T10:11:16Z |
| format | Article |
| id | doaj.art-f810fe190302482ab92e67cb77c5858b |
| institution | Directory Open Access Journal |
| issn | 2643-1564 |
| language | English |
| last_indexed | 2024-04-24T10:11:16Z |
| publishDate | 2023-08-01 |
| publisher | American Physical Society |
| record_format | Article |
| series | Physical Review Research |
| spelling | doaj.art-f810fe190302482ab92e67cb77c5858b2024-04-12T17:33:02ZengAmerican Physical SocietyPhysical Review Research2643-15642023-08-0153L03201710.1103/PhysRevResearch.5.L032017Violation of local detailed balance upon lumping despite a clear timescale separationDavid HartichAljaž GodecIntegrating out fast degrees of freedom is known to yield, to a good approximation, memory-less, i.e., Markovian, dynamics. In the presence of such a timescale separation local detailed balance is believed to inherently emerge and to guarantee thermodynamic consistency arbitrarily far from equilibrium. Here we present a transparent example of a Markov model of a molecular motor where lumping leads to a violation of local detailed balance despite a clear timescale separation and hence Markovian dynamics. Driving the system far from equilibrium can lead to a violation of local detailed balance against the driving force. We further show that local detailed balance can be restored, even in the presence of memory, if the coarse-graining is carried out as Milestoning. Our work establishes Milestoning not only as a kinetically but as far as we know for the first time also as a thermodynamically consistent coarse-graining method. Our results are relevant as soon as individual transition paths are appreciable or can be resolved.http://doi.org/10.1103/PhysRevResearch.5.L032017 |
| spellingShingle | David Hartich Aljaž Godec Violation of local detailed balance upon lumping despite a clear timescale separation Physical Review Research |
| title | Violation of local detailed balance upon lumping despite a clear timescale separation |
| title_full | Violation of local detailed balance upon lumping despite a clear timescale separation |
| title_fullStr | Violation of local detailed balance upon lumping despite a clear timescale separation |
| title_full_unstemmed | Violation of local detailed balance upon lumping despite a clear timescale separation |
| title_short | Violation of local detailed balance upon lumping despite a clear timescale separation |
| title_sort | violation of local detailed balance upon lumping despite a clear timescale separation |
| url | http://doi.org/10.1103/PhysRevResearch.5.L032017 |
| work_keys_str_mv | AT davidhartich violationoflocaldetailedbalanceuponlumpingdespiteacleartimescaleseparation AT aljazgodec violationoflocaldetailedbalanceuponlumpingdespiteacleartimescaleseparation |