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dc.contributor.authorMasthay, Mark B.
dc.contributor.authorEads, Calley N.
dc.contributor.authorJohnson, Amber N.
dc.contributor.authorKeil, Robert G.
dc.contributor.authorMiller, Philip
dc.contributor.authorJones, Ross E.
dc.contributor.authorMashburn, Joe D.
dc.contributor.authorFannin, Harry B.
dc.date.accessioned2018-01-31T15:46:47Z
dc.date.available2018-01-31T15:46:47Z
dc.date.issued2017-12-07
dc.identifier.citationEigenstate-specific temperatures in two-level paramagnetic spin lattices 2017, 147 (21):214306 The Journal of Chemical Physicsen
dc.identifier.issn0021-9606
dc.identifier.issn1089-7690
dc.identifier.pmid29221376
dc.identifier.doi10.1063/1.5012914
dc.identifier.urihttp://hdl.handle.net/10150/626443
dc.description.abstractIncreasing interest in the thermodynamics of small and/or isolated systems, in combination with recent observations of negative temperatures of atoms in ultracold optical lattices, has stimulated the need for estimating the conventional, canonical temperature T-c(conv) of systems in equilibrium with heat baths using eigenstate-specific temperatures (ESTs). Four distinct ESTs-continuous canonical, discrete canonical, continuous microcanonical, and discrete microcanonical-are accordingly derived for two-level paramagnetic spin lattices (PSLs) in external magnetic fields. At large N, the four ESTs are intensive, equal to T-c(conv), and obey all four laws of thermodynamics. In contrast, for N < 1000, the ESTs of most PSL eigenstates are non-intensive, differ from T-c(conv), and violate each of the thermodynamic laws. Hence, in spite of their similarities to T-c(conv) at large N, the ESTs are not true thermodynamic temperatures. Even so, each of the ESTs manifests a unique functional dependence on energy which clearly specifies the magnitude and direction of their deviation from T-c(conv); the ESTs are thus good temperature estimators for small PSLs. The thermodynamic uncertainty relation is obeyed only by the ESTs of small canonical PSLs; it is violated by large canonical PSLs and by microcanonical PSLs of any size. The ESTs of population-inverted eigenstates are negative (positive) when calculated using Boltzmann (Gibbs) entropies; the thermodynamic implications of these entropically induced differences in sign are discussed in light of adiabatic invariance of the entropies. Potential applications of the four ESTs to nanothermometers and to systems with long-range interactions are discussed. Published by AIP Publishing.
dc.description.sponsorshipNational Science Foundation [NSF-EPS-0132295]; Howard Hughes Medical Instituteen
dc.language.isoenen
dc.publisherAMER INST PHYSICSen
dc.relation.urlhttp://aip.scitation.org/doi/10.1063/1.5012914en
dc.rights© 2017 Author(s). Published by AIP Publishing.en
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/
dc.titleEigenstate-specific temperatures in two-level paramagnetic spin latticesen
dc.typeArticleen
dc.contributor.departmentUniv Arizona, Dept Chem & Biochemen
dc.identifier.journalThe Journal of Chemical Physicsen
dc.description.note12 month embargo; published online: 5 December 2017en
dc.description.collectioninformationThis item from the UA Faculty Publications collection is made available by the University of Arizona with support from the University of Arizona Libraries. If you have questions, please contact us at repository@u.library.arizona.edu.en
dc.eprint.versionFinal published versionen
html.description.abstractIncreasing interest in the thermodynamics of small and/or isolated systems, in combination with recent observations of negative temperatures of atoms in ultracold optical lattices, has stimulated the need for estimating the conventional, canonical temperature T-c(conv) of systems in equilibrium with heat baths using eigenstate-specific temperatures (ESTs). Four distinct ESTs-continuous canonical, discrete canonical, continuous microcanonical, and discrete microcanonical-are accordingly derived for two-level paramagnetic spin lattices (PSLs) in external magnetic fields. At large N, the four ESTs are intensive, equal to T-c(conv), and obey all four laws of thermodynamics. In contrast, for N < 1000, the ESTs of most PSL eigenstates are non-intensive, differ from T-c(conv), and violate each of the thermodynamic laws. Hence, in spite of their similarities to T-c(conv) at large N, the ESTs are not true thermodynamic temperatures. Even so, each of the ESTs manifests a unique functional dependence on energy which clearly specifies the magnitude and direction of their deviation from T-c(conv); the ESTs are thus good temperature estimators for small PSLs. The thermodynamic uncertainty relation is obeyed only by the ESTs of small canonical PSLs; it is violated by large canonical PSLs and by microcanonical PSLs of any size. The ESTs of population-inverted eigenstates are negative (positive) when calculated using Boltzmann (Gibbs) entropies; the thermodynamic implications of these entropically induced differences in sign are discussed in light of adiabatic invariance of the entropies. Potential applications of the four ESTs to nanothermometers and to systems with long-range interactions are discussed. Published by AIP Publishing.


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