Abstract The present chapter introduces the statistical mechanics and computational physics of identical bosons. Thus, after studying, in Chapter 3, the manifestation of Heisenberg’s uncertainty principle at finite temperature for a single quantum particle or several distinguishable quantum particles, we now follow identical particles to low temperature, where they lose their individual characters and enter a collective state of matter characterized by Bose condensation and superfluidity.We mostly focus in this chapter on the modeling of noninteracting (ideal) bosons. Our scope is thus restricted, by necessity, because quantum systems are more complex than the classical models of earlier chapters. However, ideal bosons are of considerably greater interest than other noninteracting systems because they can have a phase transition.
Abstract The present chapter introduces the statistical mechanics and computational physics of identical bosons. Thus, after studying, in Chapter 3, the manifestation of Heisenberg’s uncertainty principle at finite temperature for a single quantum particle or several distinguishable quantum particles, we now follow identical particles to low temperature, where they lose their individual characters and enter a collective state of matter characterized by Bose condensation and superfluidity.We mostly focus in this chapter on the modeling of noninteracting (ideal) bosons. Our scope is thus restricted, by necessity, because quantum systems are more complex than the classical models of earlier chapters. However, ideal bosons are of considerably greater interest than other noninteracting systems because they can have a phase transition.
In the previous chapters, the focus was on systems of particles following the law of classical mechanics. Of course, this was mainly done within the framework of classical mechanics but a quantum description of individual (discretised) states was also used, while assuming distinguishability of the particles (for instance, particles located at the nodes of a lattice (spin system, quantum harmonic oscillators,) ). The present chapter as well as Chapters 7 and 8 are dedicated to the study of statistical physics in a fully quantum framework. The first obstacle encountered by a quantum approach is the impossibility to define a quantum phase space (in which the ergodic hypothesis would hold for instance). This problem is inherent to quantum mechanics: because of Heisenberg’s uncertainty principle, one cannot define both the momentum and the position of a particle. Besides, statistical physics considers systems made of a large number of particles, a priori in mutual interaction. In classical physics, model situations for which the interactions between the constituents of the system are neglected can be studied. In quantum mechanics, the indistinguishability of identical particles makes the study of the problem in the absence of interaction already difficult: even for non-interacting particles, the symmetrisation (or antisymmetrisation) of the wave function of https://www.w3.org/1998/Math/MathML" display="inline"> N https://www.w3.org/1999/xlink" xlink:href=" https://s3-euw1-ap-pe-df-pch-content-public-p.s3.eu-west-1.amazonaws.com/9781003272427/5ca4d37a-9786-43a3-8b38-8fa9eb3d1a19/content/math_25.tif "/> identical particles induces correlations which have non-trivial thermodynamical effects such as the existence of a “Fermi sea” for fermions (see Section 8.1 ) or the Bose–Einstein condensation phenomenon for bosons (see Section 7.4 ). The present chapter addresses these two points consecutively.
Abstract This chapter starts with a discussion of the symmetry conditions which have to be imposed on the wave function of a many-particle system, and the distinction between bosons and fermions. It then examines the consequences of these conditions for simple systems of non-interacting particles (Fermi-Dirac and Bose-Einstein statistics), and in particular, introduces the phenomenon of Bose-Einstein condensation (BEC) in a noninteracting Bose gas. The phenomenon of Cooper pairing of interacting fermions is introduced by a thought-experiment in which one starts from a BEC of tightly bound diatomic molecules made of fermion atoms and gradually weakens the binding. The chapter closes with a description of the various physical systems to be treated in the book, and an account of the phenomenology of superfluidity and superconductivity. An appendix treats the statistical mechanics of a rotating system.
Abstract Chapter 11 presents a statistical mechanical treatment of the quantum ideal gases, i.e., the ideal Boltzmann, fermion, and boson gases. The discussion begins with the microscopic description and the solution of the eigenvalue problem for a quantum ideal gas. It is argued that calculating the partition function is most readily accomplished in the grand canonical ensemble using a second-quantized formulation. When the particles are distinguishable, the equation of state is identical to that of a classical ideal gas. For fermions and bosons, however, the problem of computing thermodynamic properties is significantly more complex and can only be solved exactly in certain limits. Away from these limits approximations are needed and are discussed in detail. The relevant distributions - the Fermi-Dirac and Bose-Einstein distributions are derived. The local density approximation of density functional theory is derived for the ideal electron gas. For the ideal boson gas, the phenomenon of Bose-Einstein condensation is discussed
In the first three chapters we have considered problems related to the physical behaviour of one or a few particles (or some other physical objects which can be effectively described by one or a few (quasi)particles as, e.g., the random walk model in polymer physics considered in chapter 1). Though quantum field theory describes systems with an arbitrary number of degrees of freedom (an arbitrary number of (quasi)particles), in chapter 3 we actually applied it to systems with a restricted and small number of particles (e.g., for the description of the scattering process for a few particles). Another way to express this fact is to say that in chapter 3 we have considered field theories at zero temperature. However, the majority of realistic systems contain many identical (indistinguishable) particles such as atoms, electrons, photons etc. An attempt to describe these systems in terms of the individual trajectories of all particles is absolutely hopeless. Instead, we are interested in the collective behaviour of systems and describe them in terms of partition functions, mean values, correlation functions, etc. The methods of derivation, analysis and calculation of such collective characteristics constitute the subject of classical and quantum statistical mechanics.
Introduction In most of the discussion presented so far in this book, the quantum character of atoms and electrons has been ignored. The Ising spin models have been an exception, but since the Ising Hamiltonian is diagonal (in the absence of a transverse magnetic field), all energy eigenvalues are known and the Monte Carlo sampling can be carried out just as in the case of classical statistical mechanics. Furthermore, the physical properties are in accord with the third law of thermodynamics for Ising-type Hamiltonians (e.g. entropy S and specific heat vanish for temperature T → 0, etc.) in contrast to the other truly classical models dealt with in previous chapters (e.g. classical Heisenberg spin models, classical fluids and solids, etc.) which have many unphysical low temperature properties. A case in point is a classical solid for which the specific heat follows the Dulong–Petit law, C = 3 Nk B , as T → 0, and the entropy has unphysical behavior since S → –∞. Also, thermal expansion coefficients tend to non-vanishing constants for T → 0 while the third law implies that they must be zero. While the position and momentum of a particle can be specified precisely in classical mechanics, and hence the groundstate of a solid is a perfectly rigid crystal lattice (motionless particles localized at the lattice points), in reality the Heisenberg uncertainty principle forbids such a perfect rigid crystal, even at T → 0, due to zero point motions which ‘smear out’ the particles over some region around these lattice points. This delocalization of quantum-mechanical particles increases as the atomic mass is reduced; therefore, these quantum effects are most pronounced for light atoms like hydrogen in metals, or liquid helium. Spectacular phenomena like superfluidity are a consequence of the quantum nature of the particles and have no classical counterpart at all. Even for heavier atoms, which do not show superfluidity because the fluid–solid transition intervenes before a transition from normal fluid to superfluid could occur, there are genuine effects of quantum nature. Examples include the isotope effects (remember that in classical statistical mechanics the kinetic energy part of the Boltzmann factor cancels out from all averages, and thus in thermal equilibrium no property depends explicitly on the mass of the particles).
We have seen in Chapter 3 , that as temperature is increased quantum statistics, both Bose-Einstein or Fermi-Dirac, tend to classical. High temperatures blur out quantum effects in a system, which can be safely described in classical terms. In this chapter, we will consider some systems which manifest quantum properties at macroscopic level, but at very low temperatures. We recall that helium is the only substance which remains liquid at low temperature, down to absolute zero (see Chapter 6 ), a phenomenon related to the quantum behavior of its constituent atoms. Liquid helium was instrumental to the discovery that some metals are able to sustain an electrical current for long periods of time without any driving force. This phenomenon is named superconductivity, and is also a macroscopic manifestation of the quantum behavior of the electrons in metals. Later on it was discovered that liquid helium itself shows a similar property, named superfluidity, consisting in its ability to flow through a capillary without viscosity. Hence, a persistent flow of liquid can be maintained without any driving force. While the quantum agents of superconductivity are electrons, which are spin- 1/2 fermions, those of superfluidity are 4 He atoms, which are spin- 0 bosons. There are other systems able to display similar behavior as liquid 3 He, atomic nuclei and nuclear matter. In fact, superfluidity and superconductivity are new phases of matter related to the bosonic character of 4 He atoms or of pairs of fermions (either electrons, 3 He atoms or nucleons), the same as Bose-Einstein condensation in ultracold atomic gases. The temperatures where these new phases manifest range from 165 K for superconductivity down to a few nano-Kelvin for Bose-Einstein condensation.