Generalized ensembles in the thermodynamics of trajectories

Autores
Budini, Adrian Adolfo; Turner, Robert M.; Garrahan, Juan P.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The dynamics of stochastic systems, both classical and quantum, can be studied by analysing the statistical properties of dynamical trajectories. The properties of ensembles of such trajectories for long, but fixed, times are described by large-deviation (LD) rate functions. These LD functions play the role of dynamical free energies: they are cumulant generating functions for time-integrated observables, and their analytic structure encodes dynamical phase behaviour. This 'thermodynamics of trajectories' approach is to trajectories and dynamics what the equilibrium ensemble method of statistical mechanics is to configurations and statics. Here we show that, just like in the static case, there are a variety of alternative ensembles of trajectories, each defined by their global constraints, with that of trajectories of fixed total time being just one of these. We show how the LD functions that describe an ensemble of trajectories where some time-extensive quantity is constant (and large) but where total observation time fluctuates can be mapped to those of the fixed-time ensemble. We discuss how the correspondence between generalized ensembles can be exploited in path sampling schemes for generating rare dynamical trajectories.
Fil: Budini, Adrian Adolfo. Universidad Tecnológica Nacional; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Turner, Robert M.. Science and Technology Facilities Council of Nottingham. Rutherford Appleton Laboratory; Reino Unido. University of Nottingham; Estados Unidos
Fil: Garrahan, Juan P.. Science and Technology Facilities Council of Nottingham. Rutherford Appleton Laboratory; Reino Unido. University of Nottingham; Estados Unidos
Materia
LARGE DEVIATIONS IN NON-EQUILIBRIUM SYSTEMS
SLOW RELAXATION AND GLASSY DYNAMICS
STOCHASTIC PROCESSES (THEORY)
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/180539

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spelling Generalized ensembles in the thermodynamics of trajectoriesBudini, Adrian AdolfoTurner, Robert M.Garrahan, Juan P.LARGE DEVIATIONS IN NON-EQUILIBRIUM SYSTEMSSLOW RELAXATION AND GLASSY DYNAMICSSTOCHASTIC PROCESSES (THEORY)https://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The dynamics of stochastic systems, both classical and quantum, can be studied by analysing the statistical properties of dynamical trajectories. The properties of ensembles of such trajectories for long, but fixed, times are described by large-deviation (LD) rate functions. These LD functions play the role of dynamical free energies: they are cumulant generating functions for time-integrated observables, and their analytic structure encodes dynamical phase behaviour. This 'thermodynamics of trajectories' approach is to trajectories and dynamics what the equilibrium ensemble method of statistical mechanics is to configurations and statics. Here we show that, just like in the static case, there are a variety of alternative ensembles of trajectories, each defined by their global constraints, with that of trajectories of fixed total time being just one of these. We show how the LD functions that describe an ensemble of trajectories where some time-extensive quantity is constant (and large) but where total observation time fluctuates can be mapped to those of the fixed-time ensemble. We discuss how the correspondence between generalized ensembles can be exploited in path sampling schemes for generating rare dynamical trajectories.Fil: Budini, Adrian Adolfo. Universidad Tecnológica Nacional; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Turner, Robert M.. Science and Technology Facilities Council of Nottingham. Rutherford Appleton Laboratory; Reino Unido. University of Nottingham; Estados UnidosFil: Garrahan, Juan P.. Science and Technology Facilities Council of Nottingham. Rutherford Appleton Laboratory; Reino Unido. University of Nottingham; Estados UnidosIOP Publishing2014-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/180539Budini, Adrian Adolfo; Turner, Robert M.; Garrahan, Juan P.; Generalized ensembles in the thermodynamics of trajectories; IOP Publishing; Journal of Statistical Mechanics: Theory and Experiment; 2014; 3; 3-2014; 1-251742-5468CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://iopscience.iop.org/article/10.1088/1742-5468/2014/03/P03012info:eu-repo/semantics/altIdentifier/doi/10.1088/1742-5468/2014/03/P03012info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:42:42Zoai:ri.conicet.gov.ar:11336/180539instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 11:42:42.252CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Generalized ensembles in the thermodynamics of trajectories
title Generalized ensembles in the thermodynamics of trajectories
spellingShingle Generalized ensembles in the thermodynamics of trajectories
Budini, Adrian Adolfo
LARGE DEVIATIONS IN NON-EQUILIBRIUM SYSTEMS
SLOW RELAXATION AND GLASSY DYNAMICS
STOCHASTIC PROCESSES (THEORY)
title_short Generalized ensembles in the thermodynamics of trajectories
title_full Generalized ensembles in the thermodynamics of trajectories
title_fullStr Generalized ensembles in the thermodynamics of trajectories
title_full_unstemmed Generalized ensembles in the thermodynamics of trajectories
title_sort Generalized ensembles in the thermodynamics of trajectories
dc.creator.none.fl_str_mv Budini, Adrian Adolfo
Turner, Robert M.
Garrahan, Juan P.
author Budini, Adrian Adolfo
author_facet Budini, Adrian Adolfo
Turner, Robert M.
Garrahan, Juan P.
author_role author
author2 Turner, Robert M.
Garrahan, Juan P.
author2_role author
author
dc.subject.none.fl_str_mv LARGE DEVIATIONS IN NON-EQUILIBRIUM SYSTEMS
SLOW RELAXATION AND GLASSY DYNAMICS
STOCHASTIC PROCESSES (THEORY)
topic LARGE DEVIATIONS IN NON-EQUILIBRIUM SYSTEMS
SLOW RELAXATION AND GLASSY DYNAMICS
STOCHASTIC PROCESSES (THEORY)
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The dynamics of stochastic systems, both classical and quantum, can be studied by analysing the statistical properties of dynamical trajectories. The properties of ensembles of such trajectories for long, but fixed, times are described by large-deviation (LD) rate functions. These LD functions play the role of dynamical free energies: they are cumulant generating functions for time-integrated observables, and their analytic structure encodes dynamical phase behaviour. This 'thermodynamics of trajectories' approach is to trajectories and dynamics what the equilibrium ensemble method of statistical mechanics is to configurations and statics. Here we show that, just like in the static case, there are a variety of alternative ensembles of trajectories, each defined by their global constraints, with that of trajectories of fixed total time being just one of these. We show how the LD functions that describe an ensemble of trajectories where some time-extensive quantity is constant (and large) but where total observation time fluctuates can be mapped to those of the fixed-time ensemble. We discuss how the correspondence between generalized ensembles can be exploited in path sampling schemes for generating rare dynamical trajectories.
Fil: Budini, Adrian Adolfo. Universidad Tecnológica Nacional; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Turner, Robert M.. Science and Technology Facilities Council of Nottingham. Rutherford Appleton Laboratory; Reino Unido. University of Nottingham; Estados Unidos
Fil: Garrahan, Juan P.. Science and Technology Facilities Council of Nottingham. Rutherford Appleton Laboratory; Reino Unido. University of Nottingham; Estados Unidos
description The dynamics of stochastic systems, both classical and quantum, can be studied by analysing the statistical properties of dynamical trajectories. The properties of ensembles of such trajectories for long, but fixed, times are described by large-deviation (LD) rate functions. These LD functions play the role of dynamical free energies: they are cumulant generating functions for time-integrated observables, and their analytic structure encodes dynamical phase behaviour. This 'thermodynamics of trajectories' approach is to trajectories and dynamics what the equilibrium ensemble method of statistical mechanics is to configurations and statics. Here we show that, just like in the static case, there are a variety of alternative ensembles of trajectories, each defined by their global constraints, with that of trajectories of fixed total time being just one of these. We show how the LD functions that describe an ensemble of trajectories where some time-extensive quantity is constant (and large) but where total observation time fluctuates can be mapped to those of the fixed-time ensemble. We discuss how the correspondence between generalized ensembles can be exploited in path sampling schemes for generating rare dynamical trajectories.
publishDate 2014
dc.date.none.fl_str_mv 2014-03
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/180539
Budini, Adrian Adolfo; Turner, Robert M.; Garrahan, Juan P.; Generalized ensembles in the thermodynamics of trajectories; IOP Publishing; Journal of Statistical Mechanics: Theory and Experiment; 2014; 3; 3-2014; 1-25
1742-5468
CONICET Digital
CONICET
url http://hdl.handle.net/11336/180539
identifier_str_mv Budini, Adrian Adolfo; Turner, Robert M.; Garrahan, Juan P.; Generalized ensembles in the thermodynamics of trajectories; IOP Publishing; Journal of Statistical Mechanics: Theory and Experiment; 2014; 3; 3-2014; 1-25
1742-5468
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://iopscience.iop.org/article/10.1088/1742-5468/2014/03/P03012
info:eu-repo/semantics/altIdentifier/doi/10.1088/1742-5468/2014/03/P03012
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv IOP Publishing
publisher.none.fl_str_mv IOP Publishing
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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