Search Results (51)

Nanoscopic quantum dots exhibit discrete energy spectra and size- and shape-dependent thermal properties that cannot always be adequately described within the conventional Boltzmann–Gibbs statistical framework. In systems with strong confinement, finite size, and reduced symmetry, deviations from extensivity may emerge, affecting the occupation of energy levels and the resulting thermodynamic response. In this context, this work elucidates how GaAs quantum dot geometry, external electric fields, and nonextensive statistical effects jointly influence the thermal response of quantum dots with different geometries—cubic, cylindrical, ellipsoidal, and pyramidal. These energy levels are calculated by solving the Schrödinger equation under the effective mass approximation, employing the finite element method for numerical computation. These energy levels are then incorporated into an iterative numerical procedure to calculate the specific heat for different values of the nonextensivity parameter, thereby enabling exploration of both extensive (Boltzmann–Gibbs) and nonextensive regimes. The results demonstrate that the shape of the quantum dots strongly influences the energy spectrum and, consequently, the thermal properties, producing distinctive features such as Schottky-type anomalies and geometry-dependent shifts under an external electric field. In subextensive regimes, a discrete behavior in the specific heat emerges due to natural cutoffs in the accessible energy states. In contrast, in superextensive regimes, a smooth, saturation-like behavior is observed. These findings highlight the importance of geometry, external-field effects, and nonextensive statistics as complementary tools for tailoring the energy distribution and thermal response in nanoscopic quantum systems. Full article

This article provides an overview of the role of microscopic conservation in charge transport at small scales and at driving fields beyond the linear-response limit. As a practical example, we recall the measurement and theory of interband coupling effects in a quantum point contact driven far from equilibrium. Full article

Since the early twentieth century, quantum mechanics has sought an interpretation that offers a consistent worldview. In the course of that, many proposals were advanced, but all of them introduce, at some point, interpretation elements (semantics) that find no correlate in the formalism (syntactics). This distance from semantics and syntactics is one of the major reasons for finding so abstruse and diverse interpretations of the formalism. To overcome this issue, we propose an alternative stochastic interpretation, based exclusively on the formal structure of the Schrödinger equation, without resorting to external assumptions such as the collapse of the wave function or the role of the observer. We present four (mathematically equivalent) mathematical derivations of the Schrödinger equation based on four constructs: characteristic function, Boltzmann entropy, Central Limit Theorem (CLT), and Langevin equation. All of them resort to axioms already interpreted and offer complementary perspectives to the quantum formalism. The results show the possibility of deriving the Schrödinger equation from well-defined probabilistic principles and that the wave function represents a probability amplitude in the configuration space, with dispersions linked to the CLT. It is concluded that quantum mechanics has a stochastic support, originating from the separation between particle and field subsystems, allowing an objective description of quantum behavior as a mean-field theory, analogous, but not equal, to Brownian motion, without the need for arbitrary ontological entities. Full article

Modified gravity theories with a nonminimal coupling between curvature and matter offer a compelling alternative to dark energy and dark matter by introducing an explicit interaction between matter and curvature invariants. Two of the main consequences of such an interaction are the emergence of an additional force and the non-conservation of the energy–momentum tensor, which can be interpreted as an energy exchange between matter and geometry. By adopting this interpretation, one can then take advantage of many different approaches in order to investigate the phenomenon of gravitationally induced particle creation. One of these approaches relies on the so-called irreversible thermodynamics of open systems formalism. By considering the scalar–tensor formulation of one of these theories, we derive the corresponding particle creation rate, creation pressure, and entropy production, demonstrating that irreversible particle creation can drive a late-time de Sitter acceleration through a negative creation pressure, providing a natural alternative to the cosmological constant. Furthermore, we demonstrate that the generalized second law of thermodynamics holds: the total entropy, from both the apparent horizon and enclosed matter, increases monotonically and saturates in the de Sitter phase, imposing constraints on the allowed particle production dynamics. Furthermore, we present brief reviews of other theoretical descriptions of matter creation processes. Specifically, we consider approaches based on the Boltzmann equation and quantum-based aspects and discuss the generalization of the Klein–Gordon equation, as well as the problem of its quantization in time-varying gravitational fields. Hence, gravitational theories with nonminimal curvature–matter couplings present a unified and testable framework, connecting high-energy gravitational physics with cosmological evolution and, possibly, quantum gravity, while remaining consistent with local tests through suitable coupling functions and screening mechanisms. Full article

We investigate how collisional interactions between the condensate and the thermal cloud influence the distinct dynamical regimes (Josephson plasma, phase-slip-induced dissipative regime, and macroscopic quantum self-trapping) emerging in ultracold atomic Josephson junctions at non-zero subcritical temperatures. Specifically, we discuss how the self-consistent dynamical inclusion of collisional processes facilitating the exchange of particles between the condensate and the thermal cloud impacts both the condensate and the thermal currents, demonstrating that their relative importance depends on the system’s dynamical regime. Our study is performed within the full context of the Zaremba–Nikuni–Griffin (ZNG) formalism, which couples a dissipative Gross–Pitaevskii equation for the condensate dynamics to a quantum Boltzmann equation with collisional terms for the thermal cloud. In the Josephson plasma oscillation and vortex-induced dissipative regimes, collisions markedly alter dynamics at intermediate-to-high temperatures, amplifying damping in the condensate imbalance mode and inducing measurable frequency shifts. In the self-trapping regime, collisions destabilize the system even at low temperatures, prompting a transition to Josephson-like dynamics on a temperature-dependent timescale. Our results show the interplay between coherence, dissipation, and thermal effects in a Bose–Einstein condensate at a finite temperature, providing a framework for tailoring Josephson junction dynamics in experimentally accessible regimes. Full article

We review the derivation of the Boltzmann equation and its cosmological applications in this paper. A novel derivation of the Boltzmann equation, especially the collision term, is discussed in detail in the language of quantum field theory without any assumption of a finite temperature system. We also discuss the integrated Boltzmann equation, incorporating the temperature parameter as an extension of the standard equation. Among a number of its cosmological applications, we mainly target two familiar examples, the dynamics of the dark matter abundance through the freeze-out/in process and a baryogenesis scenario. The formulations in those systems are briefly discussed with techniques in their calculations. Full article

The Schrödinger equation, Heisenberg’s uncertainty principles, and the Boltzmann constant represent transformative scientific achievements, the impacts of which extend far beyond their original domain of physics. As we celebrate the centenary of these fundamental quantum mechanical formulations, this review examines their evolution from abstract mathematical concepts to essential tools in contemporary drug discovery and development. While these principles describe the behavior of subatomic particles and molecules at the quantum level, they have profound implications for understanding biological processes such as enzyme catalysis, receptor–ligand interactions, and drug–target binding. Quantum tunneling, a direct consequence of these principles, explains how some reactions occur despite classical energy barriers, enabling novel therapeutic approaches for previously untreatable diseases. This understanding of quantum mechanics from 100 years ago is now creating innovative approaches to drug discovery with diverse prospects, as explored in this review. However, the fact that the quantum phenomenon can be described but never understood places us in a conundrum with both philosophical and ethical implications; a prospective and inconclusive discussion of these aspects is added to ensure the incompleteness of the paradigm remains unshifted. Full article

The spin Hall effect for the model Hamiltonian of graphene with Rashba spin–orbit coupling is analyzed by means of a recently derived quantum kinetic theory of the linear response for multi-band electron systems. The latter expresses the interband part of the density matrix in terms of the intraband occupation numbers, which can be obtained as solutions of a Boltzmann transport equation. The analysis, which, in the case of the model here considered, can be carried out in a completely analytical way, thus provides an effective pedagogical illustration of the general theory. While our results agree with those previously obtained with alternative approaches for the same model, our comparatively simpler and more physically transparent derivation illustrates the advantages of our formalism when dealing with non trivial multi-band Hamiltonians. Full article

Thermoelectric materials have drawn much attention over the last two decades due to the increase in global energy demand. However, designing efficient thermoelectrics reveals itself as a tough task for their properties (Seebeck coefficient, electrical conductivity, thermal conductivity) are mutually opposed. Hence, most recently, new design approaches have appeared, among which high-throughput methods have been implemented either experimentally or computationally. In this work, a high-throughput computer program has been designed to generate over 4000 structures based on a small set of complex layered chalcogenide compounds taken from the mA^IVB^VI nA₂^VB₃^VI homologous series, where A^IV is Ge, A^V is Sb and B^VI is Te. The computer-generated structures have been investigated using density-functional theory methods, and the electronic and transport properties have been calculated. It has been found, using the quantum theory of atoms in molecules and crystals, that a wide variety of bond types constitutes the bonding network of the structures. All the structures are found to have negative formation energies. Among the obtained final structures, 43 are found with a wide band gap energy (>0.25 eV), 358 with semi-conductor/metal characteristics, and 731 with metallic characteristics. The transport properties calculations, using the Boltzmann equation, reveal that two p-type and 86 n-type structures are potentially promising compounds for thermoelectric applications. Full article

The space- and temperature-dependent electron distribution $n(\mathbf{r},T)$ determines optoelectronic properties of disordered semiconductors. It is a challenging task to get access to $n(\mathbf{r},T)$ in random potentials, while avoiding the time-consuming numerical solution of the Schrödinger equation. We present several numerical techniques targeted to fulfill this task. For a degenerate system with Fermi statistics, a numerical approach based on a matrix inversion and one based on a system of linear equations are developed. For a non-degenerate system with Boltzmann statistics, a numerical technique based on a universal low-pass filter and one based on random wave functions are introduced. The high accuracy of the approximate calculations are checked by comparison with the exact quantum-mechanical solutions. Full article

In recent years, layered chalcogenides have attracted interest for their appealing thermoelectric properties. We investigated the Ge₂Sb₂Te₅ compound in two different stacking sequences, named stacking 1 (S1) and stacking 2 (S2), wherein the Ge and Sb atomic positions can be interchanged in the structure. The compound unit cell, comprising nine atoms, is made of two layers separated by a gap. We show, using the quantum theory of atoms in molecules, that the bonding across the layers has characteristics of transit region bonding, though with a close resemblance to closed-shell bonding. Both S1 and S2 are shown to bear a similar small gap. The full determination of their thermoelectric properties, including the Seebeck coefficient, electrical conductivity and electronic and lattice thermal conductivities, was carried out by solving the Boltzmann transport equation. We show that stacking 1 exhibits a larger Seebeck coefficient and smaller electrical conductivity than stacking 2, which is related to their small electronic gap difference, and that S1 is more suitable for thermoelectric application than S2. Moreover, under certain conditions of temperature and doping level, it could be possible to use S1-Ge₂Sb₂Te₅ as both a p and n leg in a thermoelectric converter. Under biaxial, tensile and compressive strains, we observe that the thermoelectric properties are improved for both S1 and S2. Furthermore, the increase in the power factor of S1 in the cross-plane direction, namely perpendicular to the gap between the layers, shows that strains can counteract the electronic transport hindrance due to the gap. Full article

Non-equilibrium evolution at absolute temperature T and approach to equilibrium of statistical systems in long-time (t) approximations, using both hierarchies and functional integrals, are reviewed. A classical non-relativistic particle in one spatial dimension, subject to a potential and a heat bath ($hb$), is described by the non-equilibrium reversible Liouville distribution (W) and equation, with a suitable initial condition. The Boltzmann equilibrium distribution $W_{eq}$ generates orthogonal (Hermite) polynomials $H_n$ in momenta. Suitable moments $W_n$ of W (using the $H_n$’s) yield a non-equilibrium three-term hierarchy (different from the standard Bogoliubov–Born–Green–Kirkwood–Yvon one), solved through operator continued fractions. After a long-t approximation, the $W_n$’s yield irreversibly approach to equilibrium. The approach is extended (without $hb$) to: (i) a non-equilibrium system of N classical non-relativistic particles interacting through repulsive short range potentials and (ii) a classical ${\varphi }^4$ field theory (without $hb$). The extension to one non-relativistic quantum particle (with $hb$) employs the non-equilibrium Wigner function ($W_Q$): difficulties related to non-positivity of $W_Q$ are bypassed so as to formulate approximately approach to equilibrium. A non-equilibrium quantum anharmonic oscillator is analyzed differently, through functional integral methods. The latter allows an extension to relativistic quantum ${\varphi }^4$ field theory (a meson gas off-equilibrium, without $hb$), facing ultraviolet divergences and renormalization. Genuine simplifications of quantum ${\varphi }^4$ theory at high T and large distances and long t occur; then, through a new argument for the field-theoretic case, the theory can be approximated by a classical ${\varphi }^4$ one, yielding an approach to equilibrium. Full article

The application of Quantum Computing (QC) to fluid dynamics simulation has developed into a dynamic research topic in recent years. With many flow problems of scientific and engineering interest requiring large computational resources, the potential of QC to speed-up simulations and facilitate more detailed modeling forms the main motivation for this growing research interest. Despite notable progress, many important challenges to creating quantum algorithms for fluid modeling remain. The key challenge of non-linearity of the governing equations in fluid modeling is investigated here in the context of lattice-based modeling of fluids. Quantum circuits for the D1Q3 (one-dimensional, three discrete velocities) Lattice Boltzmann model are detailed along with design trade-offs involving circuit width and depth. Then, the design is extended to a one-dimensional lattice model for the non-linear Burgers equation. To facilitate the evaluation of non-linear terms, the presented quantum circuits employ quantum computational basis encoding. The second part of this work introduces a novel, modular quantum-circuit implementation for non-linear terms in multi-dimensional lattice models. In particular, the evaluation of kinetic energy in two-dimensional models is detailed as the first step toward quantum circuits for the collision term of two- and three-dimensional Lattice Boltzmann methods. The quantum circuit analysis shows that with $O\left(100\right)$ fault-tolerant qubits, meaningful proof-of-concept experiments could be performed in the near future. Full article

Just as non-relativistic fluids, oftentimes we find relativistic fluids in situations where random fluctuations cannot be ignored, with thermal and turbulent fluctuations being the most relevant examples. Because of the theory’s inherent nonlinearity, fluctuations induce deep and complex changes in the dynamics of the system. The Martin–Siggia–Rose technique is a powerful tool that allows us to translate the original hydrodynamic problem into a quantum field theory one, thus taking advantage of the progress in the treatment of quantum fields out of equilibrium. To demonstrate this technique, we shall consider the thermal fluctuations of the spin two modes of a relativistic fluid, in a theory where hydrodynamics is derived by taking moments of the Boltzmann equation under the relaxation time approximation. Full article

Internal energy relaxation processes in fluid models derived from the kinetic theory are revisited, as are related bulk viscosity coefficients. The apparition of bulk viscosity coefficients in relaxation regimes and the links with equilibrium one-temperature bulk viscosity coefficients are discussed. First, a two-temperature model with a single internal energy mode is investigated, then a two-temperature model with two internal energy modes and finally a state-to-state model for mixtures of gases. All these models lead to a unique physical interpretation of the apparition of bulk viscosity effects when relaxation characteristic times are smaller than fluid times. Monte Carlo numerical simulations of internal energy relaxation processes in model gases are then performed, and power spectrums of density fluctuations are computed. When the energy relaxation time is smaller than the fluid time, both the two temperature and the single-temperature model including bulk viscosity yield a satisfactory description. When the energy relaxation time is larger than the fluid time, however, only the two-temperature model is in agreement with Boltzmann equation. The quantum population of a He-H${}_2$ mixture is also simulated with detailed He-H${}_2$ cross sections, and the resulting bulk viscosity evaluated from the Green–Kubo formula is in agreement with the theory. The impact of bulk viscosity in fluid mechanics is also addressed, as well as various mathematical aspects of internal energy relaxation and Chapman–Enskog asymptotic expansion for a two-temperature fluid model. Full article