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    Eigenstate-specific temperatures in two-level paramagnetic spin lattices

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    Author
    Masthay, Mark B. cc
    Eads, Calley N.
    Johnson, Amber N.
    Keil, Robert G.
    Miller, Philip
    Jones, Ross E.
    Mashburn, Joe D. cc
    Fannin, Harry B. cc
    Affiliation
    Univ Arizona, Dept Chem & Biochem
    Issue Date
    2017-12-07
    
    Metadata
    Show full item record
    Publisher
    AMER INST PHYSICS
    Citation
    Eigenstate-specific temperatures in two-level paramagnetic spin lattices 2017, 147 (21):214306 The Journal of Chemical Physics
    Journal
    The Journal of Chemical Physics
    Rights
    © 2017 Author(s). Published by AIP Publishing.
    Collection Information
    This 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.
    Abstract
    Increasing 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.
    Note
    12 month embargo; published online: 5 December 2017
    ISSN
    0021-9606
    1089-7690
    PubMed ID
    29221376
    DOI
    10.1063/1.5012914
    Version
    Final published version
    Sponsors
    National Science Foundation [NSF-EPS-0132295]; Howard Hughes Medical Institute
    Additional Links
    http://aip.scitation.org/doi/10.1063/1.5012914
    ae974a485f413a2113503eed53cd6c53
    10.1063/1.5012914
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    UA Faculty Publications

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