Berlin 2015 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 28: Poster Session II

MM 28.3: Poster

Dienstag, 17. März 2015, 18:30–20:30, Poster E

Calculation of Electronic Thermophysical Parameters for Steel Alloys based on Density Functional Theory — •Juergen Sotrop1, Jan Winter1, Heinz P. Huber1, Stephan Borek2, and Jan Minar2, 31Munich University of Applied Sciences — 2Ludwig-Maximilians Universit, Muenchen — 3University of West Bohemia, Pilsen

The ablation mechanism of matter irradiated with ultra-short laser pulses has been widely investigated over the last two decades. At present there is still lack of theoretical understanding of the interaction of ultra-short laser pulses with a metal alloy. By irradiating material with ultra-short laser pulses initially strong electron-phonon nonequilibrium will occur. The resulting difference in electron and phonon temperatures can be calculated with the so called two-temperature model (TTM). An essential prerequisite for the application of the TTM is a determination of the temperature dependent thermophysical parameters such as electron heat capacity and electron-phonon coupling factor. We will present a general method for the calculation of the electronic thermophysical parameters for metal alloys, here performed exemplarily on stainless steel (AISI 304). The method is based on the calculation of the electronic density of states (DOS) using a fully relativistic implementation of the KKR-formalism in the framework of spin density functional theory. Precise knowledge of the DOS will enable the calculation of the electron-phonon-coupling factor and the electron heat capacity. The model is compared with the well-known parameters for iron to show the validity.

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DPG-Physik > DPG-Verhandlungen > 2015 > Berlin