Scientific Visualization
The MPCDF provides a hardware and software infrastructure for remote visualization and supports Max Planck scientists in producing high quality scientific visualizations.
Services and Support
MPCDF operates a web-based remote visualization service (RVS) which enables users to access CPU and GPU resources and centrally managed visualization software (Paraview, VisIT, Blender, ...) for graphical analysis and of their data on HPC systems with their browser. Details can be found in the technical documentation on Visualization
MPCDF supports Max Planck scientists in producing high quality scientific visualizations. For dedicated project support, please contact M. Rampp or K. Reuter
Highlighted Visualization Projects
see also: complete list of visualization projects
Physical scenario: Numerical modeling of encounters between rod-like phytoplankton cells in the ocean.
Simulations: J.-A. Arguedas-Leiva, C. C. Lalescu, M. Wilczek (
MPI for Dynamics and Self-Organisation, MPCDF and
University of Bayreuth)
Simulation code:
TurTLE (Turbulence Tools: Lagrangian and Eulerian)Visualisation approach (C. Lalescu, MPCDF, 2022):
- main objective: visualisation of plankton dynamics in turbulence.
- Intense vorticity structures are shown with a volume rendering - darker regions correspond to faster rotation of the fluid.
- Cylinders represent individual rods (width increased tenfold for visibility).
- tool: VTK (through Python wrapper)
- animation (mp4, 58 MB)
References and further reading:
- José-Agustín Arguedas-Leiva, Jonasz Słomka, Cristian C. Lalescu, Roman Stocker, and Michael Wilczek.Elongation enhances encounter rates between phytoplankton in turbulence, PNAS 119 (32) e2203191119 (2022)
Physical scenario: Analysis of the wall material for the plasma vessel in a future fusion power plant simulating radiation damage in the crystalline structure of the material.
Simulations: U. von Toussaint, J. Dominguez (
Max-Planck-Institut für Plasmaphysik)
Main Codes:
- Quippy (descriptor vectors) based on FORTRAN, Python, libAtoms and QUIP
- Ovito (Interactive visualization of MD-data)
- KDTREE2
- voro++
Visualization approach (M. Rampp, M. Compostella - MPCDF, 2018):
- main objectives: development of Python scripts for the visualization of defects in the lattice of the Tungsten and Steel crystals. Use of different RGB colour channels for the representation of different descriptors in the lattice. The final colour of each atom, given by the sum in the different channels, is shown together with cloud-like regions depicting voids in the damaged crystal.
- tool: VisIt
References and further reading:- U. von Toussaint, F. J. Dominguez-Gutierrez, M. Compostella, M. Rampp. FaVAD: A software workflow for characterisation and visualizing of defects in crystalline structures arXiv:2004.08184
Physical scenario: Dynamics of a dimer of Quantum Plasmonic Nanoparticles with 2x297 sodium atoms exposed to an external laser pulse.
Simulations: R. Jestädt, H. Appel (
MPI for the Structure and Dynamics of Matter)
Simulation Code: OCTOPUS (Kohn–Sham density functional theory and time-dependent density functional theory calculations)
Visualization approach (M. Compostella, M. Rampp - MPCDF - & H. Appel - MPSD -, 2017):
- main objectives: development of Python scripts for the visualization of real-time dynamics of complex systems exposed to external electromagnetic fields. Reconstruction of the laser pulse adopted in the OCTOPUS code. Possibility to compose several different views, static images and text labels into the same canvas. Automatic generation of frames for the entire time series running a single command line. Flexibility to produce an introductory movie that presents the physical context before showing the results of the time series.
- tool: VisIt
References and further reading:
- A. Varas, P. García-González, J. Feist, F.J. García-Vidal and A. Rubio, Quantum plasmonics: from jellium models to ab initio calculations, Nanophotonics, 5(3), pp. 409-426 (2017) (10.1515/nanoph-2015-0141)
- A. Castro, H. Appel, Micael Oliveira, C.A. Rozzi, X. Andrade, F. Lorenzen, M.A.L. Marques, E.K.U. Gross, and A. Rubio, Octopus: a tool for the application of time-dependent density functional theory, Phys. Stat. Sol. B 243 2465-2488 (2006) (10.1002/pssb.200642067)
Physical scenario:
Adsorption of a CO2 molecule onto a CaO surface.
Simulations: A. Mazheika, S. V. Levchenko & M. Scheffler (
Fritz-Haber-Institut)
Simulation Code: FHI-aims (Fritz Haber Institute ab initio molecular simulations)
Visualization approach (M. Compostella & M. Rampp, MPCDF, 2017):
- main objectives: interactive data exploration, visualization of the modifications in the electron density during the interaction of a CO2 molecule with a CaO surface.
- tools: VisIt, Blender
-
Download movie (1920x1080, 25 MB, MP4).
References and further reading:
- The Novel Materials Discovery (NOMAD) Laboratory: a European Centre of Excellence
- V. Blum, R. Gehrke, F. Hanke, P. Havu, V. Havu, X. Ren, K. Reuter, M. Scheffler, Ab initio molecular simulations with numeric atom-centered orbitals, Computer Physics Communications 180, 2175-2196 (2009) (10.1016/j.cpc.2009.06.022)
- V. Havu, V. Blum, P. Havu, M. Scheffler, Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions, Journal of Computational Physics 228, 8367-8379 (2009) (10.1016/j.jcp.2009.08.008)
- FHI-aims
-
Theory Department of the FHI
Astrophysical scenario: Neutrino-driven explosion of a low-mass iron-core star
Simulation: T. Melson, A. Marek, F. Hanke & H.-Th. Janka (
MPI for Astrophysics)
Simulation Code: VERTEX (3D Hydrodynamics & Boltzmann neutrino transport)
Visualization approach (E. Erastova & M. Rampp, RZG, 2014):
- main objectives: interactive data exploration, visualization of the dynamics of large-scale hydrodynamical instabilities ("SASI")
- tool: VisIt
References and further reading:
- H.Th. Janka: Zündende Neutrinos Physik Journal 03/2018, S. 47
- H.Th. Janka: Three-dimensional computer simulations support neutrinos as cause of supernova explosions, MPA Highlight August 2015
- T. Melson, H.-Th. Janka, A. Marek: Neutrino-driven supernova of a low-mass iron-core progenitor boosted by three-dimensional turbulent convection, Astrophysical Journal Letters, 801, L24 (2015)arXiv:1501.01961
- T. Melson, H.-T. Janka, R. Bollig, F. Hanke, A. Marek, & B. Müller Neutrino-driven explosion of a 20 solar-mass star in three dimensions enabled by strange-quark contributions to neutrino-nucleon scattering Astrophysical Journal Letters, 808, L42 (2015)
- Bild der Wissenschaft, Januar 2015
-
Stellar Hydrodynamics at MPA
Talks and Training Material
