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PhD Position - X-ray analytics and ab initio sim ... (No replies)

amichalchuk
4 years ago
amichalchuk 4 years ago

We are seeking a motivated PhD student for a project in the study of explosive materials under extreme conditions at the Federal Institute for Materials Research and Testing (BAM) in Berlin, Germany, starting before 1 May 2022.

Energetic materials (explosives, propellants and pyrotechnics) are exposed to extreme conditions (high pressures and temperatures) during initiation and detonation. Understanding energetic materials response to these conditions is crucial for rationalising their reactivity. Extensive work has explored the effects of pressure and temperature on the atomic structure of energetic materials, with comparatively little evidence of how these conditions affect their electronic structures and hence chemical reactivity. This project will study the electronic structure of energetic materials under extreme conditions through the combined use of X-ray Raman spectroscopy and atomistic simulation.

Specific tasks include to:

  • Design and develop a synchrotron-based X-ray Raman spectrometer at BESSY-II fit for characterizing the electronic structure of low Z elements
  • Study energetic materials under high-pressure conditions using synchrotron radiation
  • Study using ab initio simulation the structure, bonding and dynamics of energetic materials under extreme conditions

Full announcement and application: https://www.bam.de/umantis/EN/1105.html

Applications are welcomed until 25 Feb 2022

Informal inquiries are welcome by email: [email protected]




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Ab initio (from electronic structure) calculation of complex processes in materials