Research team uses computation and experiment to understand how novel material properties form | 8/22/2017 | Staff
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Since the dawn of Enlightenment-era chemistry and physics, scientists have tried to document materials' properties different conditions. These investigations spawned the field of materials science and have helped humanity create aircraft and spacecraft, revolutionize healthcare, and build industrial processes to create products from adhesives and cosmetics to jet fuel and fertilizers.

However, as researchers attempt to create increasingly complex materials to address increasingly intricate industrial needs—such as improved material resiliency for high-temperature processes, or compression processes that effect materials for flight—the ability to uncover and understand materials' properties experimentally has gotten costly in terms of resources, energy, money and time.

Team - Researchers - Prof - Dr - Britta

A team of researchers led by Prof. Dr. Britta Nestler at the Karlsruhe Institute of Technology and the Karlsruhe University of Applied Sciences works on the frontline of advanced material design, using computation to model new material properties. The group primarily focuses on materials for which experiments are incapable of adequately characterizing and controlling the origin of their properties, or where such experimentation would be extremely time consuming to be done efficiently in a systematic manner.

Nestler, who was recently awarded the 2017 Gottfried Wilhelm Leibniz Prize by the German Research Foundation, and her team with the help of the High Performance Computing Center Stuttgart's (HLRS's) Cray XC40 Hazel Hen supercomputer—have scaled to new heights in their multiphysics and multiscale modeling and simulation efforts.

Karlsruhe - Group - Simulation - Software - Pace3D

The Karlsruhe group develops the parallel simulation software Pace3D ((Parallel Algorithms of Crystal Evolution in 3D) and is a long-time user of HLRS resources, previously investigating material pattern formations such as multiphase directional solidification. One of the team's central goals is the computational analysis of the influence of varying melting conditions on material properties and microstructure quantities.

In a recent paper published in Acta Materialia, the researchers detail fully 3D simulations of an aluminum-silver-copper (Al-Ag-Cu) alloy as it solidifies and compare...
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