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Crossover behavior of the thermal conductance and Kramers’ transition rate theory

Journal Article · · Scientific Reports
DOI:https://doi.org/10.1038/srep17506· OSTI ID:1259298
 [1];  [2];  [3];  [4];  [5]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division
  2. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States); Univ. of Maryland, College Park, MD (United States); Oregon State Univ., Corvallis, OR (United States)
  3. Univ. of California, Merced, CA (United States)
  4. Ben-Gurion Univ. of the Negev, Beer-Sheva (Israel)
  5. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States); Oregon State Univ., Corvallis, OR (United States)
+ Show Author Affiliations
Kramers’ theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive the heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Finally, not only does this shed new light on Kramers’ classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale.
Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
Laboratory Directed Research and Development (LDRD); USDOE
Grant/Contract Number:
AC52-06NA25396
OSTI ID:
1259298
Alternate ID(s):
OSTI ID: 1471318
Report Number(s):
LA-UR--18-28759; srep17506
Journal Information:
Scientific Reports, Journal Name: Scientific Reports Vol. 5; ISSN 2045-2322
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (13)

Landauer’s formula with finite-time relaxation: Kramers’ crossover in electronic transport journal April 2016
Challenges and constraints of dynamically emerged source and sink in atomtronic circuits: From closed-system to open-system approaches journal November 2016
On Binding Energy of Trions in Bulk Materials text January 2017
Topology, Landscapes, and Biomolecular Energy Transport text January 2019
Topology, landscapes, and biomolecular energy transport journal October 2019
Electron-transfer-induced and phononic heat transport in molecular environments journal September 2017
Communication: Relaxation-limited electronic currents in extended reservoir simulations journal October 2017
Communication: Master equations for electron transport: The limits of the Markovian limit journal October 2017
Upside/Downside statistical mechanics of nonequilibrium Brownian motion. I. Distributions, moments, and correlation functions of a free particle journal January 2018
Upside/Downside statistical mechanics of nonequilibrium Brownian motion. II. Heat transfer and energy partitioning of a free particle journal September 2018
Communication: Gibbs phenomenon and the emergence of the steady-state in quantum transport journal December 2018
Landauer's formula with finite-time relaxation: Kramers' crossover in electronic transport text January 2016
Upside/Downside statistical mechanics of nonequilibrium Brownian motion. II. Heat transfer and energy partitioning of a free particle text January 2019

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