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The PYTHIA program can be used to generate high-energy-physics `events', i.e. sets of outgoing particles produced in the interactions between two incoming particles. The objective is to provide as accurate as possible a representation of…
Processor stress tests target to maximize processor power consumption by executing highly demanding workloads. They are typically used to test the cooling and electrical infrastructure of compute nodes or larger systems in labs or data…
We analyse a device aimed at the conversion of heat into electrical energy, based on a closed cycle in which a distiller generates two solutions at different concentrations, and an electrochemical cell consumes the concentration difference,…
The phase diagram of water harbours many mysteries: some of the phase boundaries are fuzzy, and the set of known stable phases may not be complete. Starting from liquid water and a comprehensive set of 50 ice structures, we compute the…
Computational engineering generates knowledge through the analysis and interpretation of research data, which is produced by computer simulation. Supercomputers produce huge amounts of research data. To address a research question, a lot of…
Utilizing solar energy to meet space heating and domestic hot water demand is very efficient (in terms of environmental footprint as well as cost), but in order to ensure that user demand is entirely covered throughout the year needs to be…
The aim of this work is to study heat pump cycles, using CO 2 based mixtures as working fluids. Since adding other chemicals to CO 2 moves the critical point and generally equilibrium lines, it is expected that lower operating pressures as…
Superheated steam is widely employed in various energy systems, particularly in power plants, chemical industries, and other applications where high-temperature and high-pressure steam is essential for efficient energy conversion and…
Sintering refers to particle coalescence by heat, which has been known as a thermal phenomenon involving all aspects of natural science for centuries. It is particularly important in heterogeneous catalysis because normally sintering…
Recently there have been significant theoretical advances in our understanding of liquids and dense supercritical fluids based on their ability to support high frequency transverse (shear) waves. Here, we have constructed a new computer…
The increase of existing computational capabilities has made simulation emerge as a third discipline of Science, lying midway between experimental and purely theoretical branches [1, 2]. Simulation enables the evaluation of quantities which…
The absorption and emission of light by exoplanet atmospheres encode details of atmospheric composition, temperature, and dynamics. Fundamentally, simulating these processes requires detailed knowledge of the opacity of gases within an…
In this work, we introduce DeepFlame, an open-source C++ platform with the capabilities of utilising machine learning algorithms and pre-trained models to solve for reactive flows. We combine the individual strengths of the computational…
A new parallelized simulation code is presented, which uses a Monte Carlo method to determine particle spectra in the KATRIN source. Reaction chains are generated from the decay of tritium within the source. The code includes all relevant…
From thermodynamics point of view, in this era of aiming at energy conservation and sustainability, we need to develop more accurate ways to design thermal power, cooling and heat pump cycles. It has been the general practice in…
We present an application of Wertheim's Thermodynamic Perturbation Theory (TPT1) to a simple coarse grained model made of flexibly bonded Lennard-Jones monomers. We use both the Reference Hyper-Netted-Chain (RHNC) and Mean Spherical…
The optimal efficiency of quantum (or classical) heat engines whose heat baths are $n$-particle systems is given by the information geometry and the strong large deviation. We give the optimal work extraction process as a concrete…
High Performance Computing is an internet based computing which makes computer infrastructure and services available to the user for research purpose. However, an important issue which needs to be resolved before High Performance Computing…
A bath with a negative temperature is a subject of intense debate in recent times. It raises fundamental questions not only on our understanding of negative temperature of a bath in connection with thermodynamics but also on the…
Different economical configurations, due for instance to the relative cost of the fuel it consumes, can push a heat engine into operating whether at maximum efficiency or at maximum power produced. Any relevant design of such system hence…