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The cooling system is a key factor in power transformer designs. The frequent need for optimized projects further increases the importance of development through of increasingly developed tools. This work aims to evaluate a transformer…
Molecular adsorption is the first important step of many surface-mediated chemical processes, from catalysis to tribology. This phenomenon is controlled by physical/chemical interactions, which can be accurately described by first…
Monte Carlo event generators are the central interface between theoretical calculations and experimental measurements in collider physics. Over several decades, a comprehensive and highly modular ecosystem of tools has developed around…
Calorimeter shower simulation is a major bottleneck in the Large Hadron Collider computational pipeline. There have been recent efforts to employ deep-generative surrogate models to overcome this challenge. However, many of best performing…
The rate of entropy production by a stochastic process quantifies how far it is from thermodynamic equilibrium. Equivalently, entropy production captures the degree to which detailed balance and time-reversal symmetry are broken. Despite…
The spectral features of water clusters provide important information on their structure and dynamics and can assist in deciphering the nature of the local environment of aqueous solutions in a variety of different conditions. Accurately…
Engines are systems and devices that convert one form of energy into another, typically into a more useful form that can perform work. In the classical setup, physical, chemical, and biological engines largely involve the conversion of heat…
We report a computer simulation study of the glass transition for water. To mimic the difference between standard and hyperquenched glass, we generate glassy configurations with different cooling rates and calculate the $T$ dependence of…
Linear programming is used as a standard tool for optimising unit commitment or power flows in energy supply systems. For heat supply systems, however, it faces a relevant limitation: For them, energy yield depends on the output…
Consumer grade cyber-physical systems (CPS) are becoming an integral part of our life, automatizing and simplifying everyday tasks. Indeed, due to complex interactions between hardware, networking and software, developing and testing such…
Methane pyrolysis provides a scalable alternative to conventional hydrogen production methods, avoiding greenhouse gas emissions. However, high operating temperatures limit economic feasibility on an industrial scale. A major scientific…
Water plays a fundamental role in protein stability. However, the effect of the properties of water on the behaviour of proteins is only partially understood. Several theories have been proposed to give insight into the mechanisms of cold…
We devise a hierarchy of computational algorithms to enumerate the microstates of a system comprising N independent, distinguishable particles. An important challenge is to cope with integers that increase exponentially with system size,…
The increasing penetration of inverter-based resources (IBRs) is fundamentally reshaping power system dynamics and creating new challenges for stability assessment. Data-driven approaches, and in particular machine learning models, require…
Conventional heat engines typically require two distinct thermal reservoirs, with their efficiency strictly bounded by the Carnot limit. We present a theoretical design for a phase-change heat engine that utilizes water as the working fluid…
Information engines can use structured environments as a resource to generate work by randomizing ordered inputs and leveraging the increased Shannon entropy to transfer energy from a thermal reservoir to a work reservoir. We give a broadly…
It is possible to extract work from a quantum-mechanical system whose dynamics is governed by a time-dependent cyclic Hamiltonian. An energy bath is required to operate such a quantum engine in place of the heat bath used to run a…
The reported research work presents numerical studies validated by experimental results of a flat micro heat pipe with sintered copper wick structure. The objectives of this project are to produce and demonstrate the efficiency of the…
The udkm1Dsim toolbox is a collection of Python classes and routines to simulate the thermal, structural, and magnetic dynamics after laser excitation as well as the according X-ray scattering response in one-dimensional sample structures.…
Magnetohydrodynamics (MHD) is a subject concerned with the dynamics of electrically conducting fluids (plasma) and can be applied in electric power generation. As a unique technology for producing direct-current electricity without moving…