Related papers: Efficient implementation of the Wang-Landau algori…
A methodology for calculating the contribution of charged defects to the configurational free energy of an ionic crystal is introduced. The temperature-independent Wang-Landau Monte Carlo technique is applied to a simple model of a solid…
In the present work, it is developed a formalism to deal with the macroscopic study of the astrophysical systems, which is based on the consideration of the exponential self-similarity scaling laws that these systems exhibit during the…
The volume fluctuations in the steady state reached by a vibrated granular gas of hard particles confined by a movable piston on the top are investigated by means of event driven simulations. Also, a compressibility factor, measuring the…
Here we investigate how local properties of particles in a thermal bath influence the thermodynamics of the bath. We utilize nanothermodynamics, based on two postulates: that small systems can be treated self-consistently by coupling to an…
Within quantum thermodynamics, many tasks are modelled by processes that require work sources represented by out-of-equilibrium quantum systems, often dubbed quantum batteries, in which work can be deposited or from which work can be…
Many-body quantum-mechanical stationary states that have real valued wavefunctions are shown to satisfy a classical conservation of energy equation with a kinetic energy function. The terms in the equation depend on the probability…
In this chapter, we illustrate how a trapped ion system can be used for the experimental study of quantum thermodynamics, in particular, quantum fluctuation of work. As technology of nano/micro scale develops, it becomes critical to…
A generalization of the Van der Waals excluded volume procedure for the multicomponent hadron gas is proposed. The derivation is based on the grand canonical partition function for the system of particles of several species interacting by…
We set up recursion relations for the partition function and the ground-state occupancy for a fixed number of non-interacting bosons confined in a square box potential and determine the temperature dependence of the specific heat and the…
We analyze the properties of a Lennard-Jones system at the level of the potential energy landscape. After an exhaustive investigation of the topological features of the landscape of the systems, obtained studying small size sample, we…
We treat the accurate simulation of the calcination reaction in particles, where the particles are large and, thus, the inner-particle processes must be resolved. Because these processes need to be described with coupled partial…
We introduce axiomatically a complete thermodynamic formalism for a single macromolecule, either with or without detailed balance, in an isothermal ambient fluid based on its stochastic dynamics. With detailed balance, the novel theory…
A pure quantum state can fully describe thermal equilibrium as long as one focuses on local observables. Thermodynamic entropy can also be recovered as the entanglement entropy of small subsystems. When the size of the subsystem increases,…
We introduce a generic, parallel Wang-Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping…
In this work, we present a compact analytical approximation for the quantum partition function of systems composed of quantum oscillators. The proposed formula is general and applicable to an arbitrary number of oscillators described by a…
Landau's theory of phase transitions is adapted to treat independently relaxing regions in complex systems using nanothermodynamics. The order parameter we use governs the thermal fluctuations, not a specific static structure. We find that…
The new scheme employed (throughout the thermodynamic phase space), in the statistical thermodynamic investigation of classical systems, is extended to quantum systems. Quantum Nearest Neighbor Probability Density Functions are formulated…
Star polymer is a typical nonlinear macromolecule possessing special thermodynamic behaviors for the existence of a jointing point. The thermodynamic transitions of a single star polymer are systematically studied with bond fluctuation…
We considered a higher-dimensional extension for the replica-exchange Wang-Landau algorithm to perform a random walk in the energy and magnetization space of the two-dimensional Ising model. This hybrid scheme combines the advantages of…
Finding equilibration times is a major unsolved problem in physics with few analytical results. Here we look at equilibration times for quantum gases of bosons and fermions in the regime of negligibly weak interactions, a setting which not…