Publications associées à The thermodynamic, thermoeconomic and environomic modeling and optimization of energy systems - Discussion and Applications

Nature-Inspired Stalactite Nanopores for Biosensing and Energy Harvesting

Aleksandra Radenovic, Mukeshchand Thakur, Andrey Chernev, Vasily Artemov, Lucie Navratilova, Nianduo Cai, Yunfei Teng, Tzu-Heng Chen

Nature provides a wide range of self-assembled structures from the nanoscale to the macroscale. Under the right thermodynamic conditions and with the appropriate material supply, structures like stalactites, icicles, and corals can grow. However, the natur ...

WILEY-V C H VERLAG GMBH2023

Experimental and theoretical thermodynamic studies in Ba2MgReO6-the ground state in the context of Jahn-Teller effect

Henrik Moodysson Rønnow, Ivica Zivkovic, Jana Pásztorová

We address the degeneracy of the ground state multiplet on the 5d(1) Re6+ ion in double perovskite Ba2MgReO6 using a combination of specific heat measurements and density functional calculations. For Ba2MgReO6, two different ground state multiplets have pr ...

IOP Publishing Ltd2023

Unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials

Nicola Marzari, Tommaso Chiarotti, Andrea Ferretti

Dynamical potentials appear in many advanced electronic-structure methods, including self-energies from many-body perturbation theory, dynamical mean-field theory, electronic-transport formulations, and many embedding approaches. Here, we propose a novel t ...

AMER PHYSICAL SOC2022

Temperature Dependent Properties of the Aqueous Electron

Alfredo Pasquarello, Jinggang Lan

The temperature-dependent properties of the aqueous electron have been extensively studied using mixed quantum-classical simulations in a wide range of thermodynamic conditions based on one-electron pseudopotentials. While the cavity model appears to expla ...

WILEY-V C H VERLAG GMBH2022

Controlling surface effects in extremely high aspect ratio gold plasmonic electrodes

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Nanofabrication is key to many technological advances, especially the challenge of merging nanophotonics with electronics. Here, we investigate the fabrication process of plasmonic interdigitated gold electrodes having a very high aspect ratio (i.e. long a ...

ELSEVIER2022

Uncertainty estimation for molecular dynamics and sampling

Michele Ceriotti, Federico Grasselli, Yongbin Zhuang, Venkat Kapil, Kevin Rossi, Edgar Albert Engel, Giulio Imbalzano

Machine-learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale, and complexity. Given the interpolative nature of these models, the r ...

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On the Application of Small-Scale Turbines in Industrial Steam Networks

François Maréchal, Jürg Alexander Schiffmann, Ivan Daniel Kantor, Ansgar Weickgenannt

This study investigates the technical and economic feasibility of replacing throttling valves with smale-scale, oil-free turbomachinery in industrial steam networks. This is done from the perspective of the turbomachine, which has to be integrated into a n ...

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Nematic quantum criticality in an Fe-based superconductor revealed by strain-tuning

Joshua Alan Wolfe Straquadine

Quantum criticality may be essential to understanding a wide range of exotic electronic behavior; however, conclusive evidence of quantum critical fluctuations has been elusive in many materials of current interest. An expected characteristic feature of qu ...

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The thermodynamic, thermoeconomic and environomic modeling and optimization of energy systems - Discussion and Applications

Unique corrosion behavior of an archaeological Roman iron ring: Microchemical characterization and thermodynamic considerations

Nature-Inspired Stalactite Nanopores for Biosensing and Energy Harvesting

Experimental and theoretical thermodynamic studies in Ba2MgReO6-the ground state in the context of Jahn-Teller effect

Precipitation, Characterization, Kinetic, and Thermodynamic Modelling of Synthetic C-S-H Systems (C-S-H, CASH, CSH+$)

Unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials

Temperature Dependent Properties of the Aqueous Electron

Controlling surface effects in extremely high aspect ratio gold plasmonic electrodes

Uncertainty estimation for molecular dynamics and sampling

On the Application of Small-Scale Turbines in Industrial Steam Networks

Nematic quantum criticality in an Fe-based superconductor revealed by strain-tuning

Graph Chatbot

Chattez avec Graph Search

Unique corrosion behavior of an archaeological Roman iron ring: Microchemical characterization and thermodynamic considerations

Nature-Inspired Stalactite Nanopores for Biosensing and Energy Harvesting

Experimental and theoretical thermodynamic studies in Ba2MgReO6-the ground state in the context of Jahn-Teller effect

Precipitation, Characterization, Kinetic, and Thermodynamic Modelling of Synthetic C-S-H Systems (C-S-H, CASH, CSH+$)

Unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials

Temperature Dependent Properties of the Aqueous Electron

Controlling surface effects in extremely high aspect ratio gold plasmonic electrodes

Uncertainty estimation for molecular dynamics and sampling

On the Application of Small-Scale Turbines in Industrial Steam Networks

Nematic quantum criticality in an Fe-based superconductor revealed by strain-tuning