| Autor: |
Heinen, Matthias, Chatwell, René Spencer, Homes, Simon, Guevara Carrión, Gabriela, Fingerhut, Robin, Kohns, Maximilian, Stephan, Simon, Horsch, Martin Thomas, Vrabec, Jadran |
| Jazyk: |
angličtina |
| Předmět: |
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| Popis: |
We are outlining our most recent findings, covering: 1) A comparison of a micro- and macroscopic solution of a two-phase Riemann problem obtained from molecular dynamics simulations and finite volume schemes; 2) A novel equation of state for the bulk viscosity of liquid noble gases based on a multi-mode relaxation ansatz; 3) A detailed analysis of the evaporation process of simple fluids; 4) Diffusion coefficients of quaternary liquid mixtures obtained with the Green-Kubo formalism; 5) An analysis of the solid/fluid phase transition for the face centered cubic (fcc) lattice; 6) The relative permittivity of mixtures of water and acetone; 7) An assessment of the reliability and reproducibility of molecular simulation results; 8) Techniques for the data management in simulation workflows, including annotations of simulation outcomes with appropriate metadata standardized by an ontology. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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