GCS-Gauss Centre for Supercomputing-PRACE Awarded Projects

Please enjoy the following excerpts of PRACE awarded projects published on the GCS website:

Two-dimensional inorganic materials under electron beam: insights from advanced first-principles calculations

PI: Dr. Arkady Krasheninnikov, Helmholtz-Zentrum Dresden-Rossendorf (Germany)

PRACE project ID: 2016153638

PRACE Call: 14

Resource awarded: 16 million coure hours on Hazel Hen, HLRS, GCS

Nature publication: https://www.nature.com/articles/s41586-018-0754-2?WT.feed_name=subjects_electrochemistry#Ack1

HPC helps researchers understand experiments for observing real-time motion of lithium atoms in bi-layer graphene, paving the way for designing new materials for batteries and other electronics. Whether it is high-temperature superconductors and improved energy storage to bendable metals and fabrics capable of completely wicking liquids, materials scientists study and understand the physics of interacting atoms in solids to ultimately find ways to improve materials we use in every aspect of daily life. The frontier of materials science research lies not in alchemical trial and error, though; to better understand and improve materials today, researchers must be able to study material properties at the atomic scale and under extreme conditions. As a result, researchers have increasingly come to rely on simulations to complement or inform experiments into materials’ properties and behaviours. Please read the entire story here: http://www.gauss-centre.eu/SharedDocs/Meldungen/GAUSS-CENTRE/EN/2019/news_02_2D_Materials_HZDR.html

R2Wall: Resolved LES to support Wall-Model Development

PI: Koen Hillewaert, Ariane Frère, Michel Rasquin, Cenaero Research Center (Belgium)

PRACE project ID: 2016153477

PRACE Call: 14

Resource awarded: 30 million core hours on JUQEEN, JSC, GCS

Wind turbine and aircraft design relies on numerical simulation. Current aerodynamic models represent turbulence not directly but model its averaged impact. Such models are only reliable near the design point and require vast experience of the design engineer. Industry wants therefore to enable more accurate methods, such as wall-modeled Large-Eddy Simulation (wmLES) which represents turbulent flow structures directly. R2Wall provides a high-resolution simulation of the NACA4412 airfoil as reference data for the development of wall-models for LES and turbulence models in general. This project has enabled the definition of guidelines for future computations, and the calibration of wall-models. Please read the entire story here: http://www.gauss-centre.eu/gauss-centre/EN/Projects/CSE/2019/hillewaert_PRA096.html?nn=1345710

Emergent Locality in Quantum Systems with Long Range Interactions

PI: Fabien Alet, Centre national de la recherche scientifique (CNRS), Toulouse University, France, and Dr. David J. Luitz, Max Planck Institute for the Physics of Complex Systems (MPIPKS), Dresden, Germany

PRACE project ID: 2016153659

PRACE Call: 14

Resource awarded: 20 million core hours on Hazel Hen of HLRS, GCS

How fast can information travel in a quantum system? While special relativity yields the speed of light as a strict upper limit, many quantum systems at low energies are in fact described by nonrelativistic quantum theory, which does not contain any fundamental speed limit. Interestingly enough, there is an emergent speed limit in quantum systems with short ranged interactions which is far slower than the speed of light. Fundamental interactions between particles are, however, often of long range, such as dipolar interactions or Coulomb interactions. A very-large scale computational study performed on Hazel Hen revealed that there is no instantaneous information propagation even in the presence of extremely long ranged interactions and that most signals are contained in a spatio-temporal light cone for dipolar interactions. Please read the entire story here: http://www.gauss-centre.eu/gauss-centre/EN/Projects/MaterialsScienceChemistry/2019/alet_luitz_STIDS.html?nn=1345690

Large Eddy Simulations of Micro-Vortex Generators for Shock Wave/Turbulent Boundary Layer Interaction

PI: Julien Bodart, ISAE-SUPAERO, Université de Toulouse (France)

PRACE project ID: 2016153674

PRACE Call: 14

Resource awarded: 42.4 million core hours on JUQUEEN, JSC, GCS

This project aims to investigate the influence of the height h and distance to the interaction d of microramp vortex generators (mVGs) placed upstream the interaction region in order to control the unsteady mechanisms and separation involved in a Shock Boundary Layer Interaction (SBLI). It follows a previous high-fidelity Large Eddy Simulations (LES) campaignon french national supercomputers (GENCI grant). Please read the entire story here:http://www.gauss-centre.eu/gauss-centre/EN/Projects/CSE/2019/bodart_PRA097.html;jsessionid=D1CEA1D38CE8B79681F3E23AC6932159?nn=1345710

 

HETS /Heat (and Mass) Transfer in Turbulent Suspension

PI : Luca Brandt, Department of Mechanics, KTH, Royal Institute of Technology (Sweden)

PRACE project ID: 2016153682

PRACE Call: 14

Resource awarded: 18.3 million core hours at Marconi-KNL, CINECA, Italy and 11.7 million core hours at Hazel Hen, HLRS, GCS

Droplets evaporating in a carrier fluid are encountered in a variety of engineering processes of great practical importance, like aerosols, spray dryers and most importantly combustion of liquid sprays. The topic is of strong relevance to answer two important societal challenges: secure, clean and efficient energy and smart, green and integrated transport. Please read the entire report here:
http://www.gauss-centre.eu/gauss-centre/EN/Projects/CSE/2019/brandt_HETS.html?nn=1236240

 

LACEHIP, LArge scale CEllular model of the HIPpocampus

PI: Michele Migliore, Consiglio Nazionale delle Ricerche (CNR), I.B.F. (Italy)

PRACE project ID:  2016153550

PRACE Call: 14

Resource awarded: 21 million core hours at JUQUEEN, JSc, GCS

In this project, the focus was on the development of the first detailed and realistic large scale 3D model of the CA1 region of the hippocampus. The hippocampus (a latin word derived from Greek to indicate a seahorse) is a small brain region located deep in the brain, in the medial temporal lobe, underneath the cortical surface (see figure below). Its structure is divided into two halves which lie in the left and right sides of the brain. The organ is curved with a shape that resembles a seahorse, explaining its name. It is well known that the processes related to higher brain function, such as memory, learning, and spatial navigation involve this region (Squire et al., 2004; Andersen et al., 2006; Morris 2006) that which, for this reason, is one of the most studied both experimentally and theoretically. Please read the entire report here: http://www.gauss-centre.eu/gauss-centre/EN/Projects/LifeSciences/2019/migliore_PRA098.html;jsessionid=300A56C3A76D5A04DD410DADC0993C69?nn=1236240