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Quantum heat engines (QHEs) have attracted long-standing scientific interest, especially inspired by considerations of the interplay between heat and work with the quantization of energy levels, quantum superposition, and entanglement.…
To find a viable alternative to SF6 with growing climate change regulations, proper evaluation of alternatives such as compressed air ought to be done. For medium voltage applications, the withstand voltage is used as the dimensioning…
Observed efficiencies of industrial power plants are often approximated by the square-root formula: $1-\sqrt{T_-/T_+}$, where $T_+ (T_-)$ is the highest (lowest) temperature achieved in the plant. This expression can be derived within…
Urban wastewater sector is being pushed to optimize processes in order to reduce energy consumption without compromising its quality standards. Energy costs can represent a significant share of the global operational costs (between 50% and…
To make clear several issues relating with the thermodynamics of computations, we perform a simulation of a binary device using a Langevin equation. Based on our numerical results, we consider how to estimate thermodynamic entropy of…
We study thermodynamic processes in contact with a heat bath that may have an arbitrary time-varying periodic temperature profile. Within the framework of stochastic thermodynamics, and for models of thermo-dynamic engines in the idealized…
Dynamical crossover in water is studied by means of computer simulation. The crossover temperature is calculated from the behavior of velocity autocorrelation functions. The results are compared with experimental data. It is shown that the…
The optimal control of sustainable energy supply systems, including renewable energies and energy storage, takes a central role in the decarbonization of industrial systems. However, the use of fluctuating renewable energies leads to…
We present KinetiX, a software toolkit to generate computationally efficient fuel-specific routines for the chemical source term, thermodynamic and mixture-averaged transport properties for use in combustion simulation codes. The C++…
Simulations are reported to investigate solid superheating and liquid supercooling of two-dimensional (2D) systems with a Yukawa interparticle potential. Motivated by experiments where a dusty plasma is heated and then cooled suddenly, we…
Hydropower plants are one of the most convenient option for power generation, as they generate energy exploiting a renewable source, they have relatively low operating and maintenance costs, and they may be used to provide ancillary…
Entropy production is a key quantity in any finite-time thermodynamic process. It is intimately tied with the fundamental laws of thermodynamics, embodying a tool to extend thermodynamic considerations all the way to non-equilibrium…
Electrons/atoms can flow without dissipation at low temperature in superconductors/superfluids. The phenomenon known as superconductivity/superfluidity is one of the most important discoveries of modern physics, and is not only…
In this work we propose a new algorithm for the computation of statistical equilibrium quantities on a cubic lattice when both an energy and a statistical temperature are involved. We demonstrate that the pivot algorithm used in situations…
This paper develops a computational simulation of the fluid dynamics and heat transfer phenomena that occur inside combustion chamber, and flat and semispherical open evaporators used in NCS non-centrifugal sugar industry. The study…
Understanding and predicting the thermodynamic properties of point defects in semiconductors and insulators would greatly aid in the design of novel materials and allow tuning the properties of existing ones. As a matter of fact,…
Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming…
The concept of quantum phase transitions (QPT) plays a central role in the description of condensed matter systems. In this contribution, we perform high-quality wavefunction-based simulations to demonstrate the existence of a quantum phase…
There are three ways to conceptualize entropy: entropy as an extensive thermodynamic quantity of physical systems (Clausius, Boltzmann, Gibbs), entropy as a measure for information production of ergodic sources (Shannon), and entropy as a…
In recent years, the number of hybrid algorithms that combine quantum and classical computations has been continuously increasing. These two approaches to computing can mutually enhance each others' performances thus bringing the promise of…