Just another WordPress site - Ruhr-Universität Bochum
Scale-Bridging Simulation of Functional Composites
RUB, MarquardProfessor
Room: 02-507
Tel.: +49 175 4863478
E-Mail: anna.gruenebohm@rub.de
Research
Ferroelectric perovskites (ABO3, with A: alkali earth metals and B: transition metals) are widely used in applications and are promising for energy harvesting devices as well as for future efficient solid-state cooling devices based on the electrocaloric effect. All these applications share the following demands on materials design: Replace problematic elements and increase efficiency and reversibility in a broad and suitable operation range.
The goal of the group is the design of ferroic materials and composites with superior functional properties. Our approach is the scale-bridging optimization of microstructures and composite morphologies, combining the benefits of materials choice, controlled inhomogeneities, domain engineering and interface design. Our methods are scale-bridging simulations based on ab initio parametrization with high predictive power, which allow us to fundamentally understand and design the properties of materials systems
Competences
- Molecular dynamics simulations;
- Density functional theory;
- Ferroic materials and composites;
- Functional (piezoelectric, dielectric, caloric) responses
Teaching Activities
- Complex Phase Transitions in Solids (lecture with hands-on and project; summer semesters; in collaboration with the Faculty of Physics and Astronomy, open for UNIC, master)
- Advanced Atomistic Simulations (lecture with hands-on; winter semesters; in collaboration with M. Mrovec, open for UNIC, master)
- Scale-bridging Simulations of Functional Composites (seminar, every semester)
- Material- Festkörperphysik II (lecture, summer semesters, bachelor)
- Quantum Mechanics (lecture with exercises, master)
- Documenting and Communicating Science (lecture with hands-on, winter semester)
If you are interested in a student research project in the group Scalebridging Simulation of Functional Composites please have a look here or contact Prof. Dr. Anna Grünebohm.
