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TU Dresden » Faculty of Mechanical Science and Engineering » Institute for Materials Science » Chair of Materials Science and Nanotechnology
» funding   » Virtual Development of Ceramic and Composite Materials with Tailored Transport Properties (VEKTRA)


Virtual Development of Ceramic and Composite Materials with Tailored Transport Properties (VEKTRA)

(BMBF Verbundprojekt (coordinator: Dr. S. Lampenscherf, Siemens AG))




title:Virtual Development of Ceramic and Composite Materials with Tailored Transport Properties (VEKTRA)
agency:Federal Ministry of Education and Research (BMBF)
time frame:2007-2010
web page:http://tu-dresden.de/die_tu_dresden/zentrale_einrichtungen/zih/forschung/math_methoden_algorithmen_und_effiziente_implementierungen/vektra/document_view

description:

For effective and rapid material research numerical simulations are widely used. Of main interest in VEKTRA are transport properties of ceramics and composite materials with customized thermal and electrical transport properties. Applications include ceramic heat insulation layers, fuel cells, gas separation membranes, thermo electrical generators and even LEDs. Transport properties are are in complicated ways dependent on the crystal structure as well as on the micro structure of materials. Therefore a complete multi scale simulation approach is necessary for tailoring of those materials. In the multi scale modelling approach, features of systems are calculated on their own characteristic length scale. From this, effective properties are obtained, that permit the modelling of larger systems. Well tested codes for the distinct simulation methods already exist. Available simulation methods for different length scales range from quantum mechanical approaches (DFT), statistical physics (MD, ab initio MC, Green-Kubo formalism) to continuum methods like the Effective Medium Approach or FEM simulations of macroscopic properties. As they were developed independently, there are no standardized ways for data exchange between different scales of modelling yet



last modified: 2021.05.05 Wed
author: webadmin