Quantum Thermodynamics for the Modelling of Non-equilibrium Phenomena

C. Ray Smith, Vittorio Verda, Michael R. von Spakovsky

Jincheng Zhang

Quantum-Enhanced Non-Equilibrium Thermodynamics (QENET) presents a novel theoretical framework for investigating complex thermodynamic phenomena, specifically focusing on non-equilibrium systems. This work proposes a new approach leveraging quantum mechanics to predict and control phase transitions and critical phenomena. The core mechanism centers around the application of quantum entanglement and superposition to model the dynamic evolution of a system from a non-equilibrium state. We argue that incorporating quantum effects into thermodynamics offers a significant departure from classical models, potentially unlocking new insights into fundamental properties of matter and systems. This research utilizes a dynamically evolving quantum state representation to capture the intricate interplay between quantum entanglement and macroscopic thermodynamic behavior. This approach will demonstrate the capability to predict and manipulate phase transitions and critical phenomena through the judicious application of quantum principles.

Sebastian Deffner, Steve Campbell

Felix C. Binder, Luis Alfonso Correa, Christian Gogolin +2 more

Ross Dorner

This thesis is a study of non-equilibrium phenomena in quantum systems. Emphasis is given to the recently derived non-equilibrium fluctuation theorems, which relate the non-equilibrium response of a system to its equilibrium thermodynamic properties. We investigate the validity and importance of these theorems, from both a theoretical and experimental perspective, in systems ranging from a single atom to an ensemble of interacting particles. We also investigate the potential role of quantum dynamics in biological processes.

Adriano Sciacovelli, C E Smith, Michael R. von Spakovsky +1 more

Quantum thermodynamics (QT) provides a general framework for the description of non-equilibrium phenomena at any level, particularly the atomistic one. This theory and its dynamical postulate are used here to extend the work reported in previous papers of modeling the storage of hydrogen in an isolated system, by extending the modeling to 3D. The system is prepared in a state with the hydrogen molecules initially far from stable equilibrium after which the system is allowed to relax (evolve) to a state of stable equilibrium. The so-called energy eigenvalue problem, which entails a many-body problem that for dilute and moderately dense gases can be solved using virial expansion theory, is used to determine the energy eigenvalues and eigenstates of the system. This information is then used in the nonlinear Beretta equation of motion of QT to determine the evolution of the thermodynamic state of the system as well as the spatial distributions of the hydrogen molecules in time. The results of our simulations provide a quantification of the entropy generated due to irreversibilities at an atomistic level and show in detail the trajectory of the state of the system as the hydrogen molecules, which are initially arranged to be far from the carbon nanotube, spread out in the system and eventually become more concentrated near the carbon atoms which make up the nanotube