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Archives of Thermodynamics

Evaluation of the thermodynamics of a four level system using canonical density matrix method

Oladunjoye A. Awoga, A. N. Ikot, Eno E. Ituen, Louis E. Akpabio

Published Nov 1, 2011• 1 citation
Publisher

Abstract

Abstract We consider a four-level system with two subsystems coupled by weak interaction. The system is in thermal equilibrium. The thermodynamics of the system, namely internal energy, free energy, entropy and heat capacity, are evaluated using the canonical density matrix by two methods. First by Kronecker product method and later by treating the subsystems separately and then adding the evaluated thermodynamic properties of each subsystem. It is discovered that both methods yield the same result, the results obey the laws of thermodynamics and are the same as earlier obtained results. The results also show that each level of the subsystems introduces a new degree of freedom and increases the entropy of the entire system. We also found that the four-level system predicts a linear relationship between heat capacity and temperature at very low temperatures just as in metals. Our numerical results show the same trend.

DOI
10.2478/v10173-012-0029-5

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Abstract We consider a four-level system with two subsystems coupled by weak interaction. The system is in thermal equilibrium. The thermodynamics of the system, namely internal energy, free energy, entropy and heat capacity, are evaluated using the canonical density matrix by two methods. First by Kronecker product method and later by treating the subsystems separately and then adding the evaluated thermodynamic properties of each subsystem. It is discovered that both methods yield the same result, the results obey the laws of thermodynamics and are the same as earlier obtained results. The results also show that each level of the subsystems introduces a new degree of freedom and increases the entropy of the entire system. We also found that the four-level system predicts a linear relationship between heat capacity and temperature at very low temperatures just as in metals. Our numerical results show the same trend.
A system composed of identical spins and described by a quantum mechanical pure state is analyzed within the statistical framework presented in Part I of this work. We explicitly derive the typical values of the entropy, of the energy, and of the equilibrium reduced density matrix of a subsystem for the two different statistics introduced in Part I. In order to analyze their consistency with thermodynamics, these quantities of interest are evaluated in the limit of large number of components of the isolated system. The main results can be summarized as follows: typical values of the entropy and of the equilibrium reduced density matrix as functions of the internal energy in the fixed expectation energy ensemble do not satisfy the requirement of thermodynamics. On the contrary, the thermodynamical description is recovered from the random pure state ensemble (RPSE), provided that one considers systems large enough. The thermodynamic limit of the considered properties for the spin system reveals a number of important features. First canonical statistics (and thus, canonical typicality as long as the fluctuations around the average value are small) emerges without the need of assuming the microcanonical space for the global pure state. Moreover, we rigorously prove (i) the equivalence of the "global temperature," derived from the entropy equation of state, with the "local temperature" determining the canonical state of the subsystems; and (ii) the equivalence between the RPSE typical entropy and the canonical entropy for the overall system.
For a small system at a low temperature, thermal fluctuation and quantum effect play important roles in quantum thermodynamics. Starting from micro-canonical ensemble, we generalize the Boltzmann–Gibbs statistical factor from infinite to finite systems, no matter the interactions between particles are considered or not. This generalized factor, similar to Tsallis’s q-form as a power-law distribution, has the restriction of finite energy spectrum and includes the nonextensivities of the small systems. We derive the exact expression for distribution of average particle numbers in the interacting classical and quantum nonextensive systems within a generalized canonical ensemble. This expression in the almost independent or elementary excitation quantum finite systems is similar to the corresponding ones obtained from the conventional grand-canonical ensemble. In the reconstruction for the statistical theory of the small systems, we present the entropy of the equilibrium systems and equation of total thermal energy. When we investigate the thermodynamics for the interacting nonextensive systems, we obtain the system–bath heat exchange and “uncompensated heat” which are in the thermodynamical level and independent on the detail of the system–bath coupling. For ideal finite systems, with different traps and boundary conditions, we calculate some thermodynamic quantities, such as the specific heat, entropy, and equation of state, etc. Particularly at low temperatures for the small systems, we predict some novel behaviors in the quantum thermodynamics, including internal entropy production, heat exchanges between the system and its surroundings and finite-size effects on the free energy.
It is argued that a typical many-body energy eigenstate has a well-defined thermodynamic entropy and that individual eigenstates possess thermodynamic characteristics analogous to those of generic isolated systems. We examine large systems with eigenstate energies equivalent to finite temperatures. When quasi-static evolution of a system is adiabatic (in the quantum mechanical sense), two coupled subsystems can transfer heat from one subsystem to another and yet remain in an energy eigenstate. To explicitly construct the entropy from the wave function, degrees of freedom are divided into two unequal parts. It is argued that the entanglement entropy between these two subsystems is the thermodynamic entropy per degree of freedom for the smaller subsystem. This is done by tracing over the larger subsystem to obtain a density matrix and calculating the diagonal and off-diagonal contributions to the entanglement entropy.
By numerically exact calculations of spin-1/2 antiferromagnetic Heisenberg models on small clusters up to 24 sites, we demonstrate that quantum entanglement between subsystems A and B in a pure ground state of a whole system A + B can induce thermal equilibrium in subsystem A. Here, the whole system is bipartitoned with the entanglement cut that covers the entire volume of subsystem A. An effective temperature T A of subsystem A induced by quantum entanglement is not a parameter but can be determined from the entanglement von Neumann entropy S A and the total energy E A of subsystem A calculated for the ground state of the whole system.We show that temperature T A can be derived by minimizing the relative entropy for the reduced density matrix operator of subsystem A and the Gibbs state (i.e., thermodynamic density matrix operator) of subsystem A with respect to the coupling strength between subsystems A and B. Temperature T A is essentially identical to the thermodynamic temperature, for which the entropy and the internal energy evaluated using the canonical ensemble in statistical mechanics for the isolated subsystem A agree numerically with the entanglement entropy S A and the total energy E A of subsystem A. Fidelity calculations ascertain that the reduced density matrix operator of subsystem A for the pure but entangled ground state of the whole system A + B matches, within a maximally 1.5% error in the finite size clusters studied, the thermodynamic density matrix operator of subsystem A at temperature T A , despite that these density-matrix operators are different in general.We also find that temperature T A evaluated from the ground state of the whole system depends insignificantly on the system sizes, which is consistent with the fact that the thermodynamic temperature is an intensive quantity.We argue that quantum fluctuation in an entangled pure state can mimic thermal fluctuation in a subsystem.We also provide two simple but nontrivial analytical examples of free bosons and free fermions for which the two density-matrix operators are exactly the same if the effective temperature T A is adopted.We furthermore discuss implications and possible applications of our finding.
An explicit expression for the temperature of an open two-level quantum system is obtained as a function of local properties under the hypothesis of weak interaction with the environment. This temperature is defined for both equilibrium and out-of-equilibrium states and coincides with the environment temperature if the system reaches thermal equilibrium with a heat reservoir. Additionally, we show that within this theoretical framework the total entropy production can be partitioned into two contributions: one due to heat transfer and another, associated to internal irreversibilities, related to the loss of internal coherence by the qubit. The positiveness of the heat capacity is established, as well as its consistency with the well-known results at thermal equilibrium. We apply these concepts to two different systems and show that they behave in analogous ways as their classical counterparts.
Two approaches to describing the thermodynamics of a subsystem that interacts with a thermal bath are considered. Within the first approach, the mean system energy E_{S} is identified with the expectation value of the system Hamiltonian, which is evaluated with respect to the overall (system+bath) equilibrium distribution. Within the second approach, the system partition function Z_{S} is considered as the fundamental quantity, which is postulated to be the ratio of the overall (system+bath) and the bath partition functions, and the standard thermodynamic relation E_{S}=-d(ln Z_{S})/dbeta is used to obtain the mean system energy. Employing both classical and quantum-mechanical treatments, the advantages and shortcomings of the two approaches are analyzed in detail for various different systems. It is shown that already within classical mechanics both approaches predict significantly different results for thermodynamic quantities provided the system-bath interaction is not bilinear or the system of interest consists of more than a single particle. Based on the results, it is concluded that the first approach is superior.