We developed a computer code for the thermodynamic quantum Fokker–Planck equations (T-QFPE), derived from a thermodynamic system–bath model. This model consists of an anharmonic subsystem coupled to multiple Ohmic baths at different temperatures, which are connected to or disconnected from the subsystem as a function of time. The code numerically integrates the T-QFPE and their classical expression to simulate isothermal, isentropic, thermostatic, and entropic processes in both quantum and classical cases. The accuracy of the results was verified by comparing the analytical solutions of the Brownian oscillator. In addition, we illustrated a breakdown of the Markovian Lindblad-master equation in the pure quantum regime. As a demonstration, we simulated a thermostatic Stirling engine employed to develop non-equilibrium thermodynamics [S. Koyanagi and Y. Tanimura, J. Chem. Phys. 161, 114113 (2024)] under quasi-static conditions. The quasi-static thermodynamic potentials, described as intensive and extensive variables, were depicted as work diagrams. In the classical case, the work done by the external field is independent of the system–bath coupling strength. In contrast, in the quantum case, the work decreases as the coupling strength increases due to quantum entanglement between the subsystem and bath. The codes were developed for multicore processors using Open Multi-Processing (OpenMP) and for graphics processing units using the Compute Unified Device Architecture. These codes are provided in the supplementary material.
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21 September 2024
Research Article|
September 18 2024
Thermodynamic quantum Fokker–Planck equations and their application to thermostatic Stirling engine Available to Purchase
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Algorithms and Software for Open Quantum System Dynamics
Shoki Koyanagi
;
Shoki Koyanagi
a)
(Data curation, Software, Writing – original draft)
Department of Chemistry, Graduate School of Science, Kyoto University
, Kyoto 606-8502, Japan
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Yoshitaka Tanimura
Yoshitaka Tanimura
a)
(Conceptualization, Funding acquisition, Project administration, Writing – review & editing)
Department of Chemistry, Graduate School of Science, Kyoto University
, Kyoto 606-8502, Japan
Search for other works by this author on:
Shoki Koyanagi
Data curation, Software, Writing – original draft
a)
Department of Chemistry, Graduate School of Science, Kyoto University
, Kyoto 606-8502, Japan
Yoshitaka Tanimura
Conceptualization, Funding acquisition, Project administration, Writing – review & editing
a)
Department of Chemistry, Graduate School of Science, Kyoto University
, Kyoto 606-8502, Japan
J. Chem. Phys. 161, 112501 (2024)
Article history
Received:
June 25 2024
Accepted:
August 09 2024
Citation
Shoki Koyanagi, Yoshitaka Tanimura; Thermodynamic quantum Fokker–Planck equations and their application to thermostatic Stirling engine. J. Chem. Phys. 21 September 2024; 161 (11): 112501. https://doi.org/10.1063/5.0225607
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