Ab-initio Modeling of Crystalline and Amorphous Alumina based silica oxide surfaces (m/f)

für den Standort: Düsseldorf <40212>

Aktualisiert: am 27.10.2017

(Professioneller Verkäufer)
Online ID: 1128315
Anbieter-Online ID: 005999909

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Metall, Maschinenbau, Fahrzeugtechnik & Elektro
Metall, Maschinenbau, Fahrzeugtechnik & Elektro
Düsseldorf <40212>
Ab-initio Modeling of Crystalline and Amorphous Alumina based silica oxide surfaces (m/f)
International technology group • specialty glasses and glass-ceramics • more than 130 years experience • 15,100 employees in around 35 countries • innovative ideas for the world of tomorrow What's your next milestone? PhD position (MPIE Düsseldorf): Ab-initio modeling of crystalline and amorphous alumina based silica oxide surfaces (m/f) Within the scope of a PhD thesis the theoretical description and modeling of an amorphous oxide system will be developed. The work will be carried out at the MPIE in Düsseldorf. The goal is to understand basic mechanisms of corrosion processes on glass surfaces. Many glasses of technological relevance are in the system of Ca-Na-Al-Si-O. SiO2 and Al2O3 form the glass network and the alkaline and earth-alkaline ions act as network modifiers. Starting from crystalline phases composed of these elements, like CaNa2Al4Si4O16, surface structures can be simulated by ab-initio methods (DFT). Based on these crystalline surfaces, structure models for amorphous surface structures will be developed with the crystalline surfaces serving as benchmark. The position is for three years and provides the possibility to take part in industrial research. Your profile: Knowledge and experience in ab-initio DFT and MD simulations Interest in challenging materials research topics Master degree in: physics, materials science/engineering or chemistry Your tasks: Perform ab-initio DFT and MD simulations on crystal structures Investigate surface structures in the Ca-Na-Al-Si-O system, starting with Na4Al4Si4O16 and Ca2Al4Si4O16 Design and simulate surface models for amorphous structures Your benefits: Innovations based on materials design by simulation is part of our R&D focus. Therefore we support basic research for future applications. SCHOTT provides the funds for such PhD projects. SCHOTT AG, Mainz, Herrn Dr. Wolfgang Mannstadt, 06131 66-7354 Apply Online  

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