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| Home > Publications database > Joint atomistic modeling and experimental investigation of matter at high pressure and temperature |
| Poster (Other) | FZJ-2017-04323 |
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2017
Abstract: In the last two decades computational methods of physics and chemistry have become highly utilized in various research fields [1]. We have successfully applied them to the research of properties of materials related to astrophysics, geoscience and materials science. In our research we specifically aim into a combined modeling and experimental investigation of materials. In this presentation we will show that such joint efforts result in superior materials characterization that could not be easily obtained by independent modeling or experimental studies. We will discuss the results of various investigations of the properties of condensed white dwarf atmospheres [2,3], the stable isotope fractionation during dehydration in deep subduction zones [4,5] and the computationally and experimentally challenging f-elements bearing materials [6,7,8]. [1] Jahn, S. & Kowalski, P.M., Reviews in Mineralogy and Geochemistry, 78, 691-743 (2014)[2] Kowalski, P. M., Astronomy and Astrophysics (Letters), 519, L8 (2010)[3] Kowalski, P. M., Blouin, S. & Dufour, P., ASP Conference series, arxiv.org/abs/1610.07357 (2016)[4] Kowalski, P.M., Wunder, B. & Jahn, S., Geochimica et Cosmochimica Acta, 101, 285 (2013)[5] Kowalski, P. M. & Jahn, S., Geochimica et Cosmochimica Acta, 75, 6112 (2011) [6] Wu, S. et al., Inorganic Chemistry, 53, 7650 (2014)[7] Xiao, B. et al., Chemistry – European Journal, 22, 946 (2016)
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