The particle in an expanding/contracting 1-dimension box is revisited in action-angle like variables with direct thermodynamic interpretation. An angle dependent potential is proposed accurately describing the mechanical behavior while also capturing thermodynamic evolution -- entropy production -- within a canonical Hamiltonian framework. Heat transfer at constant volume is analyzed, and the derived thermal conductance matches the universal quantum of heat conductance $G_{Q}$ in the quantum limit. Having a Hamiltonian scheme interpretable in thermodynamic terms, a Schrödinger-like wave equation is formulated whose wavefunction solutions contain the information about the entropy evolution. The results show exact agreement with 'classical' results for non abrupt changes. Finally, comparisons with a pure quantum mechanical treatment of the wave function in an expanding box confirm consistency in quasi-static regimes and reveal adiabaticity breakdown under far-from-equilibrium conditions.
The particle in an expanding/contracting 1-dimension box is revisited in action-angle like variables with direct thermodynamic interpretation. An angle dependent potential is proposed accurately describing the mechanical behavior while also capturing thermodynamic evolution -- entropy production -- within a canonical Hamiltonian framework. Heat transfer at constant volume is analyzed, and the derived thermal conductance matches the universal quantum of heat conductance GQ in the quantum limit. Having a Hamiltonian scheme interpretable in thermodynamic terms, a Schrödinger-like wave equation is formulated whose wavefunction solutions contain the information about the entropy evolution. The results show exact agreement with 'classical' results for non abrupt changes. Finally, comparisons with a pure quantum mechanical treatment of the wave function in an expanding box confirm consistency in quasi-static regimes and reveal adiabaticity breakdown under far-from-equilibrium conditions.
Lagrange and Hamilton equations for thermodynamic evolution near equilibrium as well as Schrodinger-like equation for the non-equilibrium case are obtained extending the CPDQ Principle (Constancy of the product momentum-oordinate uncertainty) to a new conjugate pair where the momentum f is the extension of the mechanical f=p.δq product for the case the coordinate q is not directly observable. Applied to the case of a particle in a one dimension box, the results are in agreement with reported calculated and measured thermal conductance.
In quantum information processing, one often considers inserting a barrier into a box containing a particle to generate one bit of Shannon entropy. We formulate this problem as a one-dimensional Schr\"odinger equation with a time-dependent $\ensuremath{\delta}\text{-function}$ potential. It is a natural generalization of the particle in a box, a canonical example of quantum mechanics, and we present analytic and numerical investigations on this problem. After deriving an exact Volterra-type integral equation, composed of an infinite sum of modes, we show that approximate formulas with the lowest-frequency modes correctly capture the qualitative behavior of the wave function. If we take into account hundreds of modes, our numerical calculation shows that the quantum adiabatic theorem actually gives a very good approximation even if the barrier height diverges within finite time, as long as it is sufficiently longer than the characteristic time scale of the particle. In particular, if the barrier is slowly inserted at an asymmetric position, the particle is localized by the insertion itself, in accordance with a prediction of the adiabatic theorem. On the other hand, when the barrier is inserted quickly, the wave function becomes rugged after the insertion because of the energy transfer to the particle. Regardless of the position of the barrier, the fast insertion leaves the particle unlocalized so that we can obtain meaningful information by a which-side measurement. Our numerical procedure provides a precise way to calculate the wave function throughout the process, from which one can estimate the amount of this information for an arbitrary insertion protocol.
Historically, thermodynamics was formulated for macroscopic systems followed by the development of statistical mechanics which provided microscopic formulations for quantities such as entropy. Entropy is traditionally linked to the ln of the number states available or to the Shannon’s form -k Sum over i P(ei) ln(P(ei)) where P(ei) is the probability for the quantity ei. In addition a variable T (linked to average kinetic energy) appears in both theories. Later the Schrodinger equation was developed to describe bound electron states in an atom etc. These states were characterized by a math object W(x) called the wavefunction and a set of discrete energy levels was calculated which matched data of emitted photons. In a previous note (1) we argued that the average energy En for a quantum bound state plays the same role of characterizing equilibrium as T in classical thermodynamics/statistical mechanics. We further argued that En is linked to parameters in the system. For example, for a particle in a box with infinite potential walls, En is linked to L as well as to n the energy level. One may change En by either changing n or L separately (or both). Holding L constant and changing n leads to a certain type of energy change. We argue this is similar to holding the volume of a gas constant and increasing T. Alternatively, one may leave n unchanged (a quantum adiabatic process) and change L i.e. a mechanical change or work. We argue that one may already consider the concept of the first law of thermodynamics at the quantum bound state level i.e. dE = dQ - dWork where Work is linked to a change in a physical parameter, such as L the length of the box, whereas dQ is linked to energy changes not involving a physical parameter e.g. a change in n the energy level. The Schrodinger equation yields solutions for W(x)=Sum over p a(p)exp(ipx) the wavefunction as well as En’s. We have argued in previous notes that W(x) is part of a conditional probability P(p/x)= a(p)exp(ipx)/W(x) and that En is constant at each point x just as T is constant at each x for classical statistical equilibrium (1). Thus a kind of statistical mechanics exists at the wavefunction level we argue. This statistical mechanics makes use of a free particle wavefunction exp(ipx) and weights a(p), but does not contain the usual P(x), P(p) picture of the classical world. We have shown in (2) that one may obtain P(x)=W*(x)W(x) and P(p)=a*(p)a(p) from the conditional probability. The essential physics we argue, however, is at the level of the wavefunction together with its own unique statistical scenario of exp(ipx)’s interacting with exp(ikx)’s from V(x)=Sum over Vkexp(ikx) (see (1)). Given that P(x) and P(p) exist for a quantum bound state, it may be convenient to use them in formulas because they are linked to a classical statistical picture. We argue that one may use P(x) and P(p) to construct an object S such that T dS does not change when one changes L, the size of box with infinite potential walls. We argue that such an object follows from properties of the Schrodinger equation together with various assumptions. We arrive at S=Sp+Sx where Sp=-k Integral dp a(p)a(p) ln{|a(p)a(p)}| and Sx= -k Integral dx W(x)W(x) ln(W(x)W(x)) for a given energy level. We do not use arguments related to taking ln of the number of states present or Shannon’s entropy. Rather we look for a solution which does not depend on L and is additive. We note, however, that for both W(x)W(x) and a(p)a(p) the solution found is mathematically consistent with the entropy form found by considering independent probabilities. This, however, applies to P(x) and P(p), but we argue that the physical situation is based on W(x) and a(p) as solutions of the Schrodinger equation. Nevertheless P(x) and P(p) are physical observables and not simply math constructs and so may think of them in a somewhat classical manner in terms of probability. Thus we argue that thermodynamics is already present at the level of a quantum bound state and that one may obtain Shannon’s entropy at this level using P(x) and P(p), but without considering the overall probability of independent probabilities as in information theory or numbers of states. Rather obtaining a function which is additive in Sp and Sx and eliminates L is the main consideration. We also argue that S=Sp+Sx carries over into mixed quantum state wavefunctions even though it is usually ignored. Thus we try to argue that it is the bound quantum state which gives rise to the notion of thermodynamics and entropy.
The nonlinear equation of motion that accomplishes a self-consistent unification of quantum mechanics (QM) and thermodynamics conceptually different from the (von Neumann) foundations of quantum statistical mechanics (QSM) and (Jaynes) quantum information theory (QIT), but which reduces to the same mathematics for the thermodynamic equilibrium (TE) states, and contains standard QM in that it reduces to the time-dependent Schrodinger equation for zero entropy states is discussed in full mathematical detail. By restricting the discussion to a strictly isolated system (noninteracting, disentangled and uncorrelated), we show how the theory departs from the conventional QSM/QIT rationalization of the second law of thermodynamics, which instead emerges in QT (quantum thermodynamics) as a theorem of existence and uniqueness of a stable equilibrium state for each set of mean values of the energy and the number of constituent particles. To achieve this, the theory assumes Trρ lnρ B −k for the physical entropy and is designed to implement two fundamental ansatzs: (1) that in addition to the standard QM states described by idempotent density operators (zero entropy), a strictly isolated and uncorrelated system admits also states that must be described by non-idempotent density operators (nonzero entropy); (2) that for such additional states the law of causal evolution is determined by the simultaneous action of a Schrodinger-von Neumann-type Hamiltonian generator and a nonlinear dissipative generator which conserves the mean values of the energy and the number of constituent particles, and in forward time drives the density operator in the 'direction' of steepest entropy ascent (maximal entropy generation). The resulting dynamics is well defined for all non-equilibrium states, no matter how far from TE. Existence and uniqueness of solutions of the Cauchy initial value problem for all density operators implies that the equation of motion can be solved not only in forward time, to describe relaxation towards TE, but also in backward time, to reconstruct the 'ancestral' or primordial lowest entropy state or limit cycle from which the system originates. Zero entropy states as well as a well defined family of non-dissipative states evolve unitarily according to pure Hamiltonian dynamics and can be viewed as unstable limit cycles of the general nonlinear dynamics.
Thermodynamics is a phenomenological theory describing the energy conversion of work and heat. At its origins thermodynamics was developed in order to understand and improve heat engines. In conventional thermodynamics, however, only such processes are completely describable which are slow enough to keep the system of interest in an equilibrium state with its thermal environment at all times. On the contrary, all real physical processes are accompanied by non-equilibrium phenomena. These are mathematically described with the help of the irreversible entropy production, i.e. the dissipated work divided by the temperature of the bath. The second law of thermodynamics merely states that the irreversible entropy production is on average always positive. The modern trend of miniaturization, however, leads to smaller and smaller devices. On short length scales thermal noise as well as quantum fluctuations become important. Thus, usual thermodynamic quantities as work and heat acquire stochastic nature. Moreover, in the quantum regime a completely new theory had to be invented, since classical notions of work and heat are no longer valid. The present dissertation contributes to this prevailing field by the derivation of analytical expressions for the entropy production in open and closed quantum system far from thermal equilibrium. The theoretical treatment is motivated by an experimental point of view. The obtained results were derived from the reduced dynamics of the quantum mechanical system, which may be coupled to a thermal bath. To this end, it was dealt with methods and approaches of statistical physics, conventional thermodynamics, quantum information theory and the theory of open quantum systems. In this dissertation the most important physical systems are treated. First, an isolated system is considered before later on a heat bath is included. The limit of weak as well as of strong coupling are analyzed in detail. For isolated systems it turns out that a geometric approach is able to capture the thermodynamic properties, completely. To this end, the irreversible entropy production is sharply estimated from below by the angle between the real non-equilibrium state and the corresponding equilibrium one. Further, it is shown that the Heisenberg uncertainty relation for energy and time can be formulated more precisely in terms of that angle. As experimental system cold ion traps are introduced, in which the theoretical predictions can be verified. For weakly coupled systems, then, the irreversible entropy production is identified and a fluctuation theorem is derived by merely thermodynamic arguments. As experimental system we, again, propose the cold ion traps, where the heat bath can be simulated with the help of LASER light. In the limit of strong coupling a semiclassical description of the reduced quantum system is discussed. Again, an analytically exact expression for the entropy production and the corresponding fluctuation theorem is derived. A physical system, in which strong coupling to the environment can be analyzed, is given by Josephson junctions. This dissertation discusses the entropy production for isolated, weakly coupled, and overdamped quantum systems. For these physical regimes analytical relation are derived and experimental systems proposed, with which the predictions can be verified.
The Schrodinger equation, a partial differential equation in W(x,t) the wavefunction, was developed by Schrodinger from ideas of L. de Broglie and then given the interpretation of probability Probability(x,t)= W*(x,t)W(x,t) by M. Born. In this note we ask whether the form P(x)=W*(x)W(x) together with P(p)=a*(p)a(p) such that W(x)=Sum over p a(p)exp(ipx) follows from quantum thermodynamics. In particular we concentrate on a quantum adiabatic transformation and insist it be one of no entropy change (as in (1)). The quantum spatial density of a particle in a box with infinite potential depends on L as P(x)= 1/L density(x/L) (bound state). Thus Shannon’s entropy simply using P(x) is L dependent. One needs P(x)P(p) in addition to the first term changing by ln(1/L) and the second by ln(L) in order to remove L dependence during an adiabatic expansion. Similar considerations hold for the quantum simple harmonic oscillator (2). Thus the idea of a P(x) and P(p) which are linked (not independent) immediately follows form quantum thermodynamics as does the form of entropy S=Sx+Sp. As a result it seems that if one deals with probability, one must not only consider conditional probability, but also a transformation function f(px) which allows for inverse dependencies on p and x on a parameter. These ideas together with P(p/x)=P(x and p) / P(x) ((1a)) and P*(x/p) = P(x and p) / P(p) lead, we argue, to the form P(x)=W*(x)W(x) and P(p)=a*(p)a(p) where W(x)=Sum over p a(p) exp(ipx). We considered the approach of conditional probabilities in an earlier note (3), but did not give motivation for using them or the form exp(ipx). Rather we brought them in as assumptions, assuming that there should be both a P(p) and P(x). In this note, we argue that they seem to follow from the idea of quantum thermodynamics and a zero entropy change along an adiabatic path i.e. one which does not change the quantum bound state n.