Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals

Autores
Segnorile, Hector Hugo; Zamar, Ricardo César
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Explanation of decoherence and quasi-equilibrium in systems with few degrees of freedom demands a deep theoretical analysis that considers the observed system as an open quantum system. In this work, we study the problem of decoherence of an observed system of quantum interacting particles, coupled to a quantum lattice. Our strategy is based on treating the environment and the systemenvironment Hamiltonians fully quantum mechanically, which yields a representation of the time evolution operator useful for disentangling the different time scales underlying in the observed system dynamics. To describe the possible different stages of the dynamics of the observed system, we introduce quantum mechanical definitions of essentially isolated, essentially adiabatic, and thermalcontact system-environment interactions. This general approach is then applied to the study of decoherence and quasi-equilibrium in proton nuclear magnetic resonance (1H NMR) of nematic liquid crystals. A summary of the original results of this work is as follows. We calculate the decoherence function and apply it to describe the evolution of a coherent spin state, induced by the coupling with the molecular environment, in absence of spin-lattice relaxation. By assuming quantum energy conserving or non-demolition interactions, we identify an intermediate time scale, between those controlled by self-interactions and thermalization, where coherence decays irreversibly. This treatment is also adequate for explaining the buildup of quasi-equilibrium of the proton spin system, via the process we called eigen-selectivity. By analyzing a hypothetical time reversal experiment, we identify two sources of coherence loss which are of a very different nature and give rise to distinct time scales of the spin dynamics: (a) reversible or adiabatic quantum decoherence and (b) irreversible or essentially adiabatic quantum decoherence. Local irreversibility arises as a consequence of the uncertainty introduced by the coupling with an infinite quantum environment. The reversible part can be represented by a semiclassical model, similar to standard line-shape adiabatic models. By exploiting the separation existing between the time scales of the spin coherences and the irreversible decoherence, we present a novel technique to obtain the orientational molecular distribution function for a nematic liquid crystal. The procedure is based on the comparison of the observed coherence time evolution and numerical calculation under the adiabatic quantum decoherence approach. As an example, it is used the experimental free induction decay from a nematic PAAd6 sample to extract such an orientational distribution. This is the first theoretical description of the experimental liquid crystal NMR signal in the time domain. On the contrary, the irreversible decoherence is intrinsically full-quantum mechanical, as it is governed by the commutation properties of the environment and the spin-lattice Hamiltonians. Consistently, it depends on the molecular correlation in a decisive way, since it vanishes under a mean-field model for the molecular dynamics. The results of this work can contribute to the understanding of the open question of the applicability of the spintemperature concept in spin systems with few degrees of freedom.
Fil: Segnorile, Hector Hugo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomia y Física. Sección Física. Grupo de Resonancia Magnética Nuclear; Argentina
Fil: Zamar, Ricardo César. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomia y Física. Sección Física. Grupo de Resonancia Magnética Nuclear; Argentina
Materia
Quantum decoherence
Few degrees of freedom
Quasi-equilibrium
Liquid crystals
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:11336/279723

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spelling Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystalsSegnorile, Hector HugoZamar, Ricardo CésarQuantum decoherenceFew degrees of freedomQuasi-equilibriumLiquid crystalshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Explanation of decoherence and quasi-equilibrium in systems with few degrees of freedom demands a deep theoretical analysis that considers the observed system as an open quantum system. In this work, we study the problem of decoherence of an observed system of quantum interacting particles, coupled to a quantum lattice. Our strategy is based on treating the environment and the systemenvironment Hamiltonians fully quantum mechanically, which yields a representation of the time evolution operator useful for disentangling the different time scales underlying in the observed system dynamics. To describe the possible different stages of the dynamics of the observed system, we introduce quantum mechanical definitions of essentially isolated, essentially adiabatic, and thermalcontact system-environment interactions. This general approach is then applied to the study of decoherence and quasi-equilibrium in proton nuclear magnetic resonance (1H NMR) of nematic liquid crystals. A summary of the original results of this work is as follows. We calculate the decoherence function and apply it to describe the evolution of a coherent spin state, induced by the coupling with the molecular environment, in absence of spin-lattice relaxation. By assuming quantum energy conserving or non-demolition interactions, we identify an intermediate time scale, between those controlled by self-interactions and thermalization, where coherence decays irreversibly. This treatment is also adequate for explaining the buildup of quasi-equilibrium of the proton spin system, via the process we called eigen-selectivity. By analyzing a hypothetical time reversal experiment, we identify two sources of coherence loss which are of a very different nature and give rise to distinct time scales of the spin dynamics: (a) reversible or adiabatic quantum decoherence and (b) irreversible or essentially adiabatic quantum decoherence. Local irreversibility arises as a consequence of the uncertainty introduced by the coupling with an infinite quantum environment. The reversible part can be represented by a semiclassical model, similar to standard line-shape adiabatic models. By exploiting the separation existing between the time scales of the spin coherences and the irreversible decoherence, we present a novel technique to obtain the orientational molecular distribution function for a nematic liquid crystal. The procedure is based on the comparison of the observed coherence time evolution and numerical calculation under the adiabatic quantum decoherence approach. As an example, it is used the experimental free induction decay from a nematic PAAd6 sample to extract such an orientational distribution. This is the first theoretical description of the experimental liquid crystal NMR signal in the time domain. On the contrary, the irreversible decoherence is intrinsically full-quantum mechanical, as it is governed by the commutation properties of the environment and the spin-lattice Hamiltonians. Consistently, it depends on the molecular correlation in a decisive way, since it vanishes under a mean-field model for the molecular dynamics. The results of this work can contribute to the understanding of the open question of the applicability of the spintemperature concept in spin systems with few degrees of freedom.Fil: Segnorile, Hector Hugo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomia y Física. Sección Física. Grupo de Resonancia Magnética Nuclear; ArgentinaFil: Zamar, Ricardo César. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomia y Física. Sección Física. Grupo de Resonancia Magnética Nuclear; ArgentinaAmerican Institute of Physics2011-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/279723Segnorile, Hector Hugo; Zamar, Ricardo César; Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals; American Institute of Physics; Journal of Chemical Physics; 135; 24; 11-2011; 1-300021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.aip.org/aip/jcp/article-abstract/135/24/244509/983386/Quantum-decoherence-and-quasi-equilibrium-in-openinfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.3668559info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-02-26T10:30:26Zoai:ri.conicet.gov.ar:11336/279723instacron: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:34982026-02-26 10:30:26.768CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals
title Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals
spellingShingle Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals
Segnorile, Hector Hugo
Quantum decoherence
Few degrees of freedom
Quasi-equilibrium
Liquid crystals
title_short Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals
title_full Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals
title_fullStr Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals
title_full_unstemmed Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals
title_sort Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals
dc.creator.none.fl_str_mv Segnorile, Hector Hugo
Zamar, Ricardo César
author Segnorile, Hector Hugo
author_facet Segnorile, Hector Hugo
Zamar, Ricardo César
author_role author
author2 Zamar, Ricardo César
author2_role author
dc.subject.none.fl_str_mv Quantum decoherence
Few degrees of freedom
Quasi-equilibrium
Liquid crystals
topic Quantum decoherence
Few degrees of freedom
Quasi-equilibrium
Liquid crystals
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Explanation of decoherence and quasi-equilibrium in systems with few degrees of freedom demands a deep theoretical analysis that considers the observed system as an open quantum system. In this work, we study the problem of decoherence of an observed system of quantum interacting particles, coupled to a quantum lattice. Our strategy is based on treating the environment and the systemenvironment Hamiltonians fully quantum mechanically, which yields a representation of the time evolution operator useful for disentangling the different time scales underlying in the observed system dynamics. To describe the possible different stages of the dynamics of the observed system, we introduce quantum mechanical definitions of essentially isolated, essentially adiabatic, and thermalcontact system-environment interactions. This general approach is then applied to the study of decoherence and quasi-equilibrium in proton nuclear magnetic resonance (1H NMR) of nematic liquid crystals. A summary of the original results of this work is as follows. We calculate the decoherence function and apply it to describe the evolution of a coherent spin state, induced by the coupling with the molecular environment, in absence of spin-lattice relaxation. By assuming quantum energy conserving or non-demolition interactions, we identify an intermediate time scale, between those controlled by self-interactions and thermalization, where coherence decays irreversibly. This treatment is also adequate for explaining the buildup of quasi-equilibrium of the proton spin system, via the process we called eigen-selectivity. By analyzing a hypothetical time reversal experiment, we identify two sources of coherence loss which are of a very different nature and give rise to distinct time scales of the spin dynamics: (a) reversible or adiabatic quantum decoherence and (b) irreversible or essentially adiabatic quantum decoherence. Local irreversibility arises as a consequence of the uncertainty introduced by the coupling with an infinite quantum environment. The reversible part can be represented by a semiclassical model, similar to standard line-shape adiabatic models. By exploiting the separation existing between the time scales of the spin coherences and the irreversible decoherence, we present a novel technique to obtain the orientational molecular distribution function for a nematic liquid crystal. The procedure is based on the comparison of the observed coherence time evolution and numerical calculation under the adiabatic quantum decoherence approach. As an example, it is used the experimental free induction decay from a nematic PAAd6 sample to extract such an orientational distribution. This is the first theoretical description of the experimental liquid crystal NMR signal in the time domain. On the contrary, the irreversible decoherence is intrinsically full-quantum mechanical, as it is governed by the commutation properties of the environment and the spin-lattice Hamiltonians. Consistently, it depends on the molecular correlation in a decisive way, since it vanishes under a mean-field model for the molecular dynamics. The results of this work can contribute to the understanding of the open question of the applicability of the spintemperature concept in spin systems with few degrees of freedom.
Fil: Segnorile, Hector Hugo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomia y Física. Sección Física. Grupo de Resonancia Magnética Nuclear; Argentina
Fil: Zamar, Ricardo César. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomia y Física. Sección Física. Grupo de Resonancia Magnética Nuclear; Argentina
description Explanation of decoherence and quasi-equilibrium in systems with few degrees of freedom demands a deep theoretical analysis that considers the observed system as an open quantum system. In this work, we study the problem of decoherence of an observed system of quantum interacting particles, coupled to a quantum lattice. Our strategy is based on treating the environment and the systemenvironment Hamiltonians fully quantum mechanically, which yields a representation of the time evolution operator useful for disentangling the different time scales underlying in the observed system dynamics. To describe the possible different stages of the dynamics of the observed system, we introduce quantum mechanical definitions of essentially isolated, essentially adiabatic, and thermalcontact system-environment interactions. This general approach is then applied to the study of decoherence and quasi-equilibrium in proton nuclear magnetic resonance (1H NMR) of nematic liquid crystals. A summary of the original results of this work is as follows. We calculate the decoherence function and apply it to describe the evolution of a coherent spin state, induced by the coupling with the molecular environment, in absence of spin-lattice relaxation. By assuming quantum energy conserving or non-demolition interactions, we identify an intermediate time scale, between those controlled by self-interactions and thermalization, where coherence decays irreversibly. This treatment is also adequate for explaining the buildup of quasi-equilibrium of the proton spin system, via the process we called eigen-selectivity. By analyzing a hypothetical time reversal experiment, we identify two sources of coherence loss which are of a very different nature and give rise to distinct time scales of the spin dynamics: (a) reversible or adiabatic quantum decoherence and (b) irreversible or essentially adiabatic quantum decoherence. Local irreversibility arises as a consequence of the uncertainty introduced by the coupling with an infinite quantum environment. The reversible part can be represented by a semiclassical model, similar to standard line-shape adiabatic models. By exploiting the separation existing between the time scales of the spin coherences and the irreversible decoherence, we present a novel technique to obtain the orientational molecular distribution function for a nematic liquid crystal. The procedure is based on the comparison of the observed coherence time evolution and numerical calculation under the adiabatic quantum decoherence approach. As an example, it is used the experimental free induction decay from a nematic PAAd6 sample to extract such an orientational distribution. This is the first theoretical description of the experimental liquid crystal NMR signal in the time domain. On the contrary, the irreversible decoherence is intrinsically full-quantum mechanical, as it is governed by the commutation properties of the environment and the spin-lattice Hamiltonians. Consistently, it depends on the molecular correlation in a decisive way, since it vanishes under a mean-field model for the molecular dynamics. The results of this work can contribute to the understanding of the open question of the applicability of the spintemperature concept in spin systems with few degrees of freedom.
publishDate 2011
dc.date.none.fl_str_mv 2011-11
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/11336/279723
Segnorile, Hector Hugo; Zamar, Ricardo César; Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals; American Institute of Physics; Journal of Chemical Physics; 135; 24; 11-2011; 1-30
0021-9606
CONICET Digital
CONICET
url http://hdl.handle.net/11336/279723
identifier_str_mv Segnorile, Hector Hugo; Zamar, Ricardo César; Quantum decoherence and quasi-equilibrium in open quantum systems with few degrees of freedom: Application to 1H NMR of nematic liquid crystals; American Institute of Physics; Journal of Chemical Physics; 135; 24; 11-2011; 1-30
0021-9606
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://pubs.aip.org/aip/jcp/article-abstract/135/24/244509/983386/Quantum-decoherence-and-quasi-equilibrium-in-open
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.3668559
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
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dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
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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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