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Centre for Materials Modeling (CMM)

The Centre for Materials Modeling (CMM) a research centre and network hosted by NSC. It will provide expertise on a broad range of methods related to materials modeling, combined with in depth knowledge and support on a large set of related software available at NSC.

Computational Material Science has become, on the international scale, one of the most active and exciting areas of research at universities and in industry within the last decade. The reasons behind this is the development of new methods, among other the Density Functional Theory, and the continuous increase in computer processing speed. This makes it possible to calculate with unprecedented accuracy properties of microscopic structures based purely on information at the atomic level. Such simulations have been used to predict materials with several new properties (mechanical, optical and/or electronic) and have been instrumental in steering the experimental efforts.

CMM is formed as a collaboration between NSC and research groups involved in material modeling. Currently research groups from The Department of Physics and Measurement Technology (IFM) at Linköpings universitet (LiU) and The Swedish Defence Research Agency (FOI) participate. The center is responsible for the software related to materials modeling available at NSC, and will organize courses related to the software and materials modeling. The research activities within CMM is devoted to development of new methods and software for materials modeling, as well as to materials modeling utilizing existing methods and software. Currently the research focus on the following two projects.

Multilevel simulation techniques in computational materials science

Highly accurate methods at the atomic level for materials modeling is unfortunately very compute intensive and only suitable to study relatively small systems with about 100 atoms for short simulated times. With less accurate semi-empirical methods it is possible to study multi million atom systems for much longer time. Our goal is to combine these methods such that large systems can be studied with high accuracy.

Simulations related to thin film growth

Material properties of thin films, e. g., mechanical, optical and electronic properties, depend on the structure of the film. The structure is to a large extent determined by the dynamics during film growth. In order to be able to make films with tailored properties it is thus important to have a detailed understanding of the dynamics during film growth on the atomic level. Experimentally it is impossible to obtain the necessary resolution in both time and space during growth. In this project we study the dynamics by computer simulations.

Contacts

If you have questions regarding CMM, please contact Peter Münger at NSC.




Page last modified: 2003-09-26 09:43
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